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ASN 03366914 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxy

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摘 要:ASN 03366914 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-,morpholin-4-ylethyl)thiourea,Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4OC,InChI: InChI=1/C25H30N4O4S/c1-31-20-8-7-18-15-19(24(30)26
[Synonyms]
ASN 03366914
[Structure]
ASN 03366914 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxy

[ Properties Computed from Structure]
Molecular Weight482.5951 [g/mol]
Molecular FormulaC25H30N4O4S
XLogP1.4
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count4
Exact Mass482.198776
MonoIsotopic Mass482.198776
Topological Polar Surface Area75.3
Heavy Atom Count34
Formal Charge0
Complexity730
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: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-
morpholin-4-ylethyl)thiourea
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4OC
InChI: InChI=1/C25H30N4O4S/c1-31-20-8-7-18-15-19(24(30)26-22(18)16-20)17-29(10-
9-28-11-13-33-14-12-28)25(34)27-21-5-3-4-6-23(21)32-2/h3-8,15-16H,9-14,
17H2,1-2H3,(H,26,30)(H,27,34)/f/h26-27H

 
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