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79828-42-5 | 3H-Naphtho[1,2,3-de]quinoline-2,7-dione,1-benzoyl-4-methyl-6-[(4-methylphenyl)amino]-
CAS No: 79828-42-5 Catalog No: AG005GR0 MDL No:
Product Description
Catalog Number:
AG005GR0
Chemical Name:
3H-Naphtho[1,2,3-de]quinoline-2,7-dione,1-benzoyl-4-methyl-6-[(4-methylphenyl)amino]-
CAS Number:
79828-42-5
Molecular Formula:
C31H22N2O3
Molecular Weight:
470.5180
IUPAC Name:
(16E)-16-[hydroxy(phenyl)methylidene]-12-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
InChI:
InChI=1S/C31H22N2O3/c1-17-12-14-20(15-13-17)32-23-16-18(2)28-26-24(21-10-6-7-11-22(21)30(35)25(23)26)27(31(36)33-28)29(34)19-8-4-3-5-9-19/h3-16,32,34H,1-2H3/b29-27+
InChI Key:
AWYGDDUBBRWJLN-ORIPQNMZSA-N
SMILES:
Cc1ccc(cc1)Nc1cc(C)c2c3c1c(=O)c1c(c3c(c(=O)[nH]2)C(=O)c2ccccc2)cccc1
EC Number:
279-316-8
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
470.163g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.528g/mol
Monoisotopic Mass:
470.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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