Basic information
- CAS
50691-95-7- Standard SMILES
CC(O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
NBQFGUFYJOXGIE-GENIYJEYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1-hydroxyethyl)-5-phenyl-, (R-(R*,S*))-
- IUPAC
- (3R)-7-chloro-3-(1-hydroxyethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1-hydroxyethyl)-5-phenyl-, (R-(R*,S*))-50691-95-7RefChem:1065046BRN 0682392(R-(R*,S*))-1,3-Dihydro-7-chloro-3-(1-hydroxyethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one5-25-02-00281 (Beilstein Handbook Reference)DTXSID909649257-Chloro-3-(1-hydroxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-ol(3R)-7-Chloro-3-(1-hydroxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-ol
Database identifiers
- CAS
50691-95-7- PubChem CID
- 39761
- DTXSID
DTXSID90964925
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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