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T0514-8212,,, :Molecular Weight308.48202 [g/mol]Molecular FormulaC17

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摘 要:T0514-8212,,, :Molecular Weight308.48202 [g/mol]Molecular FormulaC17H28N2OSXLogP5.2H-Bond Donor2H-Bond Acceptor1Rotatable Bond Count9Tautomer Count3Exact Mass308.192234MonoIsotopic Mass308.192234Topological Polar Surface Area33.3Heavy Atom Count21F
[Synonyms]
T0514-8212


Properties Computed from Structure:Molecular Weight308.48202 [g/mol]Molecular FormulaC17H28N2OSXLogP5.2H-Bond Donor2H-Bond Acceptor1Rotatable Bond Count9Tautomer Count3Exact Mass308.192234MonoIsotopic Mass308.192234Topological Polar Surface Area33.3Heavy Atom Count21Formal Charge0Complexity276Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 3-(4-methoxyphenyl)-1-(7-methyloctyl)thiourea
Canonical SMILES: CC(C)CCCCCCNC(=S)NC1=CC=C(C=C1)OC
InChI: InChI=1/C17H28N2OS/c1-14(2)8-6-4-5-7-13-18-17(21)19-15-9-11-16(20-3)12-
10-15/h9-12,14H,4-8,13H2,1-3H3,(H2,18,19,21)/f/h18-19H


Compound Info:CID: 2399127  Create Date: 2005-07-15

Similar Compounds: 523 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9338529 - External ID: 2399127

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25154215 - External ID: T0514-8212
   ChemSpider ( 1 )
SID: 30602278 - External ID: 1791733

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 5871790 - External ID: 5372601

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2399127Molecular Weight308.48202 [g/mol]Molecular FormulaC17H28N2OSXLogP5.2H-Bond Donor2H-Bond Acceptor1  Links
Chemical Structure Search

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[Structure]
T0514-8212,,,   :Molecular Weight308.48202 [g/mol]Molecular FormulaC17

[ Properties Computed from Structure]
Molecular Weight308.48202 [g/mol]
Molecular FormulaC17H28N2OS
XLogP5.2
H-Bond Donor2
H-Bond Acceptor1
Rotatable Bond Count9
Tautomer Count3
Exact Mass308.192234
MonoIsotopic Mass308.192234
Topological Polar Surface Area33.3
Heavy Atom Count21
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(4-methoxyphenyl)-1-(7-methyloctyl)thiourea
Canonical SMILES: CC(C)CCCCCCNC(=S)NC1=CC=C(C=C1)OC
InChI: InChI=1/C17H28N2OS/c1-14(2)8-6-4-5-7-13-18-17(21)19-15-9-11-16(20-3)12-
10-15/h9-12,14H,4-8,13H2,1-3H3,(H2,18,19,21)/f/h18-19H

 
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