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ASN 04371441 2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,,5-a]quinolin-1-

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摘 要:ASN 04371441 2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,,5-a]quinolin-1-yl)sulfanyl]-N-phenylacetamide,Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=CC=CC=C4,InChI: InChI=1/C20H18N4O2S/c1-13-10-14-8-9-16(26-2)11-17(14)24-19(13)22-23-20,(
[Synonyms]
ASN 04371441
[Structure]
ASN 04371441 2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,,5-a]quinolin-1-

[ Properties Computed from Structure]
Molecular Weight378.44752 [g/mol]
Molecular FormulaC20H18N4O2S
XLogP3.4
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count2
Exact Mass378.115047
MonoIsotopic Mass378.115047
Topological Polar Surface Area68.5
Heavy Atom Count27
Formal Charge0
Complexity516
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-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,
5-a]quinolin-1-yl)sulfanyl]-N-phenylacetamide
Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=CC=CC=C4
InChI: InChI=1/C20H18N4O2S/c1-13-10-14-8-9-16(26-2)11-17(14)24-19(13)22-23-20
(24)27-12-18(25)21-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25)/f/h21H

 
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