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ZINC00881508,ASN 03433479,Thiophene-2-carboxylic acid 4-ethoxy-benzyla

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摘 要:ZINC00881508,ASN 03433479,Thiophene-2-carboxylic acid 4-ethoxy-benzylamide, N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide,Canonical SMILES: CCOC1=CC=C(C=C1)CNC(=O)C2=CC=CS2,InChI: InChI=1/C14H15NO2S/c1-2-17-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-1
[Synonyms]
ZINC00881508
ASN 03433479
Thiophene-2-carboxylic acid 4-ethoxy-benzylamide

[Structure]
ZINC00881508,ASN 03433479,Thiophene-2-carboxylic acid 4-ethoxy-benzyla

[ Properties Computed from Structure]
Molecular Weight261.3394 [g/mol]
Molecular FormulaC14H15NO2S
XLogP2.5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count5
Tautomer Count2
Exact Mass261.082349
MonoIsotopic Mass261.082349
Topological Polar Surface Area38.3
Heavy Atom Count18
Formal Charge0
Complexity265
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: N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
Canonical SMILES: CCOC1=CC=C(C=C1)CNC(=O)C2=CC=CS2
InChI: InChI=1/C14H15NO2S/c1-2-17-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-18-13/
h3-9H,2,10H2,1H3,(H,15,16)/f/h15H

 
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