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89374-13-0 | Methanone, (2,4-diphenyl[1,3]diazepino[1,2-a]quinolin-1-yl)phenyl-
CAS No: 89374-13-0 Catalog No: AG003XAQ MDL No:
Product Description
Catalog Number:
AG003XAQ
Chemical Name:
Methanone, (2,4-diphenyl[1,3]diazepino[1,2-a]quinolin-1-yl)phenyl-
CAS Number:
89374-13-0
Molecular Formula:
C32H22N2O
Molecular Weight:
450.5299
IUPAC Name:
(2,4-diphenyl-[1,3]diazepino[1,2-a]quinolin-1-yl)-phenylmethanone
InChI:
InChI=1S/C32H22N2O/c35-32(26-17-8-3-9-18-26)31-27(23-12-4-1-5-13-23)22-28(24-14-6-2-7-15-24)33-30-21-20-25-16-10-11-19-29(25)34(30)31/h1-22H
InChI Key:
PWQPOECHHVSOAC-UHFFFAOYSA-N
SMILES:
O=C(C1=C(C=C(N=c2n1c1ccccc1cc2)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.173g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.541g/mol
Monoisotopic Mass:
450.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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