2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-ethoxyethyl)-5-phenyl-
Basic information
- CAS
6515-69-1- Standard SMILES
CCOCCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
LUVRMPZXOOFLSE-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O2
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.1135055
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-ethoxyethyl)-5-phenyl-
- IUPAC
- 7-chloro-1-(2-ethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
- English name
- 1,3-Dihydro-7-chloro-1-(2-ethoxyethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one
- Molecular formula
- C19H19ClN2O2
- Molecular weight
- 342.82
Names & synonyms
2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-1-(2-ETHOXYETHYL)-5-PHENYL-6515-69-1BRN 08970187-Chloro-1,3-dihydro-1-(2-ethoxyethyl)-5-phenyl-2H-1,4-benzodiazepin-2-oneDTXSID502154657-Chloro-1-(2-ethoxyethyl)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneRo-7-27507-Chloro-1-(2-ethoxyethyl)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one1,3-Dihydro-7-chloro-1-(2-ethoxyethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1-(2-ethoxyethyl)-1,3-dihydro-5-phenyl-
Database identifiers
- CAS
6515-69-1- PubChem CID
- 23018
- DTXSID
DTXSID50215465- Nikkaji
- J41.258I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
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