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ASN 03367172 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morphol

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摘 要:ASN 03367172 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-,3-(phenylmethyl)thiourea,Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCOCC3)C(=S)NCC4=CC=CC=C4,InChI: InChI=1/C25H30N4O3S/c1-31-22-7-8-23-20(16-22)15-21(24(
[Synonyms]
ASN 03367172
[Structure]
ASN 03367172 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morphol

[ Properties Computed from Structure]
Molecular Weight466.5957 [g/mol]
Molecular FormulaC25H30N4O3S
XLogP1.7
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count4
Exact Mass466.203862
MonoIsotopic Mass466.203862
Topological Polar Surface Area66.1
Heavy Atom Count33
Formal Charge0
Complexity691
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]-1-(2-morpholin-4-ylethyl)-
3-(phenylmethyl)thiourea
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCOCC3)C(=S)NCC4=CC=CC=C4
InChI: InChI=1/C25H30N4O3S/c1-31-22-7-8-23-20(16-22)15-21(24(30)27-23)18-29(10-
9-28-11-13-32-14-12-28)25(33)26-17-19-5-3-2-4-6-19/h2-8,15-16H,9-14,
17-18H2,1H3,(H,26,33)(H,27,30)/f/h26-27H

 
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