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ZINC00932225,ASN 04455321, N-(2,,5-dimethoxyphenyl)-2-[1-(3-methoxyphe

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摘 要:ZINC00932225,ASN 04455321, N-(2,,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)OC,InChI: InChI=1/C18H19N5O4S/c1-25-13-6-4-5-12(9-13)23-18(20-21-22-23)28-11-
[Synonyms]
ZINC00932225
ASN 04455321

[Structure]
ZINC00932225,ASN 04455321, N-(2,,5-dimethoxyphenyl)-2-[1-(3-methoxyphe

[ Properties Computed from Structure]
Molecular Weight401.43956 [g/mol]
Molecular FormulaC18H19N5O4S
XLogP1.6
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count8
Tautomer Count2
Exact Mass401.115775
MonoIsotopic Mass401.115775
Topological Polar Surface Area100
Heavy Atom Count28
Formal Charge0
Complexity503
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-(2,
5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)OC
InChI: InChI=1/C18H19N5O4S/c1-25-13-6-4-5-12(9-13)23-18(20-21-22-23)28-11-17
(24)19-15-10-14(26-2)7-8-16(15)27-3/h4-10H,11H2,1-3H3,(H,19,24)/f/h19H

 
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