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Home > Indoles and Oxindole > 827347-69-3
827347-69-3 | Phenol, 4-[4-(2-phenyl-1H-indol-3-yl)-1H-1,5-benzodiazepin-2-yl]-
CAS No: 827347-69-3 Catalog No: AG004UUL MDL No:
Product Description
Catalog Number:
AG004UUL
Chemical Name:
Phenol, 4-[4-(2-phenyl-1H-indol-3-yl)-1H-1,5-benzodiazepin-2-yl]-
CAS Number:
827347-69-3
Molecular Formula:
C29H21N3O
Molecular Weight:
427.4965
IUPAC Name:
4-[2-(2-phenyl-1H-indol-3-yl)-1H-1,5-benzodiazepin-4-yl]phenol
InChI:
InChI=1S/C29H21N3O/c33-21-16-14-19(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/h1-18,31-33H
InChI Key:
JRLBCXCVNLZPKX-UHFFFAOYSA-N
SMILES:
Oc1ccc(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:
427.168g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
427.507g/mol
Monoisotopic Mass:
427.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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