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158470-22-5 | 2-(4-Bromo-phenyl)-5-phenyl-3H-benzo[e][1,2,4]triazepine
CAS No: 158470-22-5 Catalog No: AG01F7K8 MDL No:
Product Description
Catalog Number:
AG01F7K8
Chemical Name:
2-(4-Bromo-phenyl)-5-phenyl-3H-benzo[e][1,2,4]triazepine
CAS Number:
158470-22-5
Molecular Formula:
C20H14BrN3
Molecular Weight:
376.2493
IUPAC Name:
2-(4-bromophenyl)-5-phenyl-3H-1,3,4-benzotriazepine
InChI:
InChI=1S/C20H14BrN3/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-24-20)14-6-2-1-3-7-14/h1-13H,(H,22,24)
InChI Key:
HHGLCKXRWKDDQI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=Nc2ccccc2C(=NN1)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.037g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.257g/mol
Monoisotopic Mass:
375.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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