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827347-66-0 | 1H-1,5-Benzodiazepine, 2-(4-bromophenyl)-4-(2-phenyl-1H-indol-3-yl)-
CAS No: 827347-66-0 Catalog No: AG004UUM MDL No:
Product Description
Catalog Number:
AG004UUM
Chemical Name:
1H-1,5-Benzodiazepine, 2-(4-bromophenyl)-4-(2-phenyl-1H-indol-3-yl)-
CAS Number:
827347-66-0
Molecular Formula:
C29H20BrN3
Molecular Weight:
490.3932
IUPAC Name:
4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-1H-1,5-benzodiazepine
InChI:
InChI=1S/C29H20BrN3/c30-21-16-14-19(15-17-21)26-18-27(32-25-13-7-6-12-24(25)31-26)28-22-10-4-5-11-23(22)33-29(28)20-8-2-1-3-9-20/h1-18,32-33H
InChI Key:
DKRLJBDGZOBOPP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=CC(=Nc2c(N1)cccc2)c1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.084g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
490.404g/mol
Monoisotopic Mass:
489.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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