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5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one hydrochloride

5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one hydrochloride

CAS: 268209-92-3

Formula: C15H15ClN2O

SMILES: Cl.O=C1CNC(C2=CC=CC=C2)C2=CC=CC=C2N1

IUPAC: 5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride

InChI: InChI=1/C15H14N2O.ClH/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14;/h1-9,15-16H,10H2,(H,17,18);1H

Composition: C (65.57%), H (5.50%), Cl (12.90%), N (10.20%), O (5.82%)

Molar Mass: 274.75

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 274.0872908
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NCZSZNNACZSMIT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.89
Topological Polar Surface Area 41.13
Polarizability 27.45
Ring Count 3
Rotatable Bond Count 1

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