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ASN 03367190 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxy

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摘 要:ASN 03367190 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-,morpholin-4-ylpropyl)thiourea,Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4OC,InChI: InChI=1/C26H32N4O4S/c1-32-21-8-9-22-19(17-21)16-
[Synonyms]
ASN 03367190
[Structure]
ASN 03367190 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxy

[ Properties Computed from Structure]
Molecular Weight496.62168 [g/mol]
Molecular FormulaC26H32N4O4S
XLogP1.8
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count9
Tautomer Count4
Exact Mass496.214426
MonoIsotopic Mass496.214426
Topological Polar Surface Area75.3
Heavy Atom Count35
Formal Charge0
Complexity745
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-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-
morpholin-4-ylpropyl)thiourea
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4OC
InChI: InChI=1/C26H32N4O4S/c1-32-21-8-9-22-19(17-21)16-20(25(31)27-22)18-30(11-
5-10-29-12-14-34-15-13-29)26(35)28-23-6-3-4-7-24(23)33-2/h3-4,6-9,
16-17H,5,10-15,18H2,1-2H3,(H,27,31)(H,28,35)/f/h27-28H

 
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