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ZINC00932136,ASN 04455078, 2-[1-(2,,5-dimethoxyphenyl)tetrazol-5-yl]su

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摘 要:ZINC00932136,ASN 04455078, 2-[1-(2,,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide,Canonical SMILES: CCOC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)OC)OC,InChI: InChI=1/C19H21N5O4S/c1-4-28-16-8-6-5-7-14(16)20-18(25)12-29-19-21-22-
[Synonyms]
ZINC00932136
ASN 04455078

[Structure]
ZINC00932136,ASN 04455078, 2-[1-(2,,5-dimethoxyphenyl)tetrazol-5-yl]su

[ Properties Computed from Structure]
Molecular Weight415.46614 [g/mol]
Molecular FormulaC19H21N5O4S
XLogP2
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count9
Tautomer Count2
Exact Mass415.131425
MonoIsotopic Mass415.131425
Topological Polar Surface Area100
Heavy Atom Count29
Formal Charge0
Complexity517
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: 2-[1-(2,
5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
Canonical SMILES: CCOC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)OC)OC
InChI: InChI=1/C19H21N5O4S/c1-4-28-16-8-6-5-7-14(16)20-18(25)12-29-19-21-22-23-
24(19)15-11-13(26-2)9-10-17(15)27-3/h5-11H,4,12H2,1-3H3,(H,20,25)/f/h20H

 
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