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28611-32-7 | 2H-1,4-Benzodiazepin-2-one, 7-bromo-3-ethyl-1,3-dihydro-5-phenyl-
CAS No: 28611-32-7 Catalog No: AG002VUU MDL No:
Product Description
Catalog Number:
AG002VUU
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-bromo-3-ethyl-1,3-dihydro-5-phenyl-
CAS Number:
28611-32-7
Molecular Formula:
C17H15BrN2O
Molecular Weight:
343.2178
IUPAC Name:
7-bromo-3-ethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C17H15BrN2O/c1-2-14-17(21)20-15-9-8-12(18)10-13(15)16(19-14)11-6-4-3-5-7-11/h3-10,14H,2H2,1H3,(H,20,21)
InChI Key:
GYMQWQBBGPNHMF-UHFFFAOYSA-N
SMILES:
CCC1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Br
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.037g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.224g/mol
Monoisotopic Mass:
342.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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