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ASN 04371497 N-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]tri

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摘 要:ASN 04371497 N-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,,5-a]quinolin-1-yl)sulfanyl]acetamide,Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=C(C=C(C=C4)OC)OC,InChI: InChI=1/C22H22N4O4S/c1-13-9-14-5-6-15(28-2)10-18(
[Synonyms]
ASN 04371497
[Structure]
ASN 04371497 N-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]tri

[ Properties Computed from Structure]
Molecular Weight438.49948 [g/mol]
Molecular FormulaC22H22N4O4S
XLogP3.2
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count2
Exact Mass438.136176
MonoIsotopic Mass438.136176
Topological Polar Surface Area87
Heavy Atom Count31
Formal Charge0
Complexity614
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-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,
5-a]quinolin-1-yl)sulfanyl]acetamide
Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=C(C=C(C=C4)OC)OC
InChI: InChI=1/C22H22N4O4S/c1-13-9-14-5-6-15(28-2)10-18(14)26-21(13)24-25-22
(26)31-12-20(27)23-17-8-7-16(29-3)11-19(17)30-4/h5-11H,12H2,1-4H3,(H,23,
27)/f/h23H

 
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