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10167-35-8 | 1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-3-(phenylmethyl)-
CAS No: 10167-35-8 Catalog No: AG000552 MDL No:MFCD00835338
Product Description
Catalog Number:
AG000552
Chemical Name:
1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-3-(phenylmethyl)-
CAS Number:
10167-35-8
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
MDL Number:
MFCD00835338
IUPAC Name:
3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
InChI:
InChI=1S/C16H14N2O2/c19-15-12-8-4-5-9-13(12)17-16(20)14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,20)(H,18,19)
InChI Key:
IOYQGXYNQRRATP-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C(=O)NC1Cc1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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