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ZINC00882794,BAS 02832929,ZT-1164856,N-(3-Chloro-phenyl)-2-[1-(4-metho

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摘 要:ZINC00882794,BAS 02832929,ZT-1164856,N-(3-Chloro-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide, N-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide,Canonical SMILES: COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=
[Synonyms]
ZINC00882794
BAS 02832929
ZT-1164856
N-(3-Chloro-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide

[Structure]
ZINC00882794,BAS 02832929,ZT-1164856,N-(3-Chloro-phenyl)-2-[1-(4-metho

[ Properties Computed from Structure]
Molecular Weight375.83266 [g/mol]
Molecular FormulaC16H14ClN5O2S
XLogP2.3
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass375.055673
MonoIsotopic Mass375.055673
Topological Polar Surface Area81.9
Heavy Atom Count25
Formal Charge0
Complexity439
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-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Canonical SMILES: COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1/C16H14ClN5O2S/c1-24-14-7-5-13(6-8-14)22-16(19-20-21-22)25-10-15
(23)18-12-4-2-3-11(17)9-12/h2-9H,10H2,1H3,(H,18,23)/f/h18H

 
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