N-(2-hydroxyethyl)oxazepam
Basic information
- CAS
51230-34-3- Standard SMILES
O=C1C(O)N=C(c2ccccc2)c2cc(Cl)ccc2N1CCO- InChIKey
ZPCPWNCFYGEMEO-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O3
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.07712
Names & identifiers
- Preferred name
- N-(2-hydroxyethyl)oxazepam
- IUPAC
- 7-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
N-(2-Hydroxyethyl)oxazepam51230-34-3RefChem:926700SAS 602 /OD/ 7-chloro-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one1,3-Dihydro-7-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-2H-1,4-benzodiazepin-2-oneSAS 602BRN 21724647-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one5-25-02-00246 (Beilstein Handbook Reference)CHEMBL305574DTXSID508748992H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-
Show more names
7CL-1,3-H2-1-OHET-3-OH-5PH-1,4-BENZODIAZEPIN-2-O7-Chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
51230-34-3- PubChem CID
- 39937
- DTXSID
DTXSID50874899- ChEMBL
CHEMBL305574
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
LogP1.53
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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