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Oprea1_295445,Oprea1_574963,ZINC00929997,ASN 04395012, N-(4-fluorophen

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摘 要:Oprea1_295445,Oprea1_574963,ZINC00929997,ASN 04395012, N-(4-fluorophenyl)-2-[(7-methyl-[1,3]dioxolo[4,,5-g]quinolin-6-yl)sulfanyl]acetamide,Canonical SMILES: CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NC4=CC=C(C=C4)F,InChI: InChI=1/C19H15FN2O3S/c1-11-6-12-7
[Synonyms]
Oprea1_295445
Oprea1_574963
ZINC00929997
ASN 04395012

[Structure]
Oprea1_295445,Oprea1_574963,ZINC00929997,ASN 04395012, N-(4-fluorophen

[ Properties Computed from Structure]
Molecular Weight370.397403 [g/mol]
Molecular FormulaC19H15FN2O3S
XLogP3.6
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count2
Exact Mass370.078741
MonoIsotopic Mass370.078741
Topological Polar Surface Area60.5
Heavy Atom Count26
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-(4-fluorophenyl)-2-[(7-methyl-[1,3]dioxolo[4,
5-g]quinolin-6-yl)sulfanyl]acetamide
Canonical SMILES: CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NC4=CC=C(C=C4)F
InChI: InChI=1/C19H15FN2O3S/c1-11-6-12-7-16-17(25-10-24-16)8-15(12)22-19(11)26-
9-18(23)21-14-4-2-13(20)3-5-14/h2-8H,9-10H2,1H3,(H,21,23)/f/h21H

 
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