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2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetam

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摘 要: 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide,Canonical SMILES: CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3OC,InChI: InChI=1/C18H19N5O3S/c1-3-26-16-11-7-5-9-14(16)23-18(20-21-22-23)27-12-17,(24)19-13-8-4-6-10-15(13)25-2/h
[Synonyms]

[Structure]
 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetam

[ Properties Computed from Structure]
Molecular Weight385.44016 [g/mol]
Molecular FormulaC18H19N5O3S
XLogP2.1
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count8
Tautomer Count2
Exact Mass385.12086
MonoIsotopic Mass385.12086
Topological Polar Surface Area91.2
Heavy Atom Count27
Formal Charge0
Complexity472
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-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
Canonical SMILES: CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3OC
InChI: InChI=1/C18H19N5O3S/c1-3-26-16-11-7-5-9-14(16)23-18(20-21-22-23)27-12-17
(24)19-13-8-4-6-10-15(13)25-2/h4-11H,3,12H2,1-2H3,(H,19,24)/f/h19H

 
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