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87119-75-3 | 3,9-Dichloro-5-phenyl-12H-quinazolino[3,2-a]quinazolin-12-one
CAS No: 87119-75-3 Catalog No: AG004TW5 MDL No:
Product Description
Catalog Number:
AG004TW5
Chemical Name:
3,9-Dichloro-5-phenyl-12H-quinazolino[3,2-a]quinazolin-12-one
CAS Number:
87119-75-3
Molecular Formula:
C21H11Cl2N3O
Molecular Weight:
392.2375
IUPAC Name:
3,9-dichloro-5-phenylquinazolino[2,1-b]quinazolin-12-one
InChI:
InChI=1S/C21H11Cl2N3O/c22-13-7-9-18-16(10-13)19(12-4-2-1-3-5-12)25-21-24-17-11-14(23)6-8-15(17)20(27)26(18)21/h1-11H
InChI Key:
VKEDJBHCCUTJMR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nc1n2c(=O)c2c(n1)cc(cc2)Cl)c1ccccc1
NSC Number:
374812
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.028g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.239g/mol
Monoisotopic Mass:
391.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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