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Home > Indoles and Oxindole > 827347-68-2
827347-68-2 | 1H-1,5-Benzodiazepine, 2-(4-nitrophenyl)-4-(2-phenyl-1H-indol-3-yl)-
CAS No: 827347-68-2 Catalog No: AG004ZPA MDL No:
Product Description
Catalog Number:
AG004ZPA
Chemical Name:
1H-1,5-Benzodiazepine, 2-(4-nitrophenyl)-4-(2-phenyl-1H-indol-3-yl)-
CAS Number:
827347-68-2
Molecular Formula:
C29H20N4O2
Molecular Weight:
456.4947
IUPAC Name:
4-(4-nitrophenyl)-2-(2-phenyl-1H-indol-3-yl)-1H-1,5-benzodiazepine
InChI:
InChI=1S/C29H20N4O2/c34-33(35)21-16-14-19(15-17-21)26-18-27(31-25-13-7-6-12-24(25)30-26)28-22-10-4-5-11-23(22)32-29(28)20-8-2-1-3-9-20/h1-18,31-32H
InChI Key:
JIZKRNVWKKRKLL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=CC(=Nc2c(N1)cccc2)c1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
821
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.159g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.505g/mol
Monoisotopic Mass:
456.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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