Basic information
- CAS
40967-00-8- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OCCO- InChIKey
DJELTHIJGDTVJH-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O3
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.07712
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2-hydroxyethoxy)-5-phenyl-
- IUPAC
- 7-chloro-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-3-(2-HYDROXYETHOXY)-5-PHENYL-40967-00-8RefChem:10650497-Chloro-1,3-dihydro-3-(2-hydroxyethoxy)-5-phenyl-2H-1,4-benzodiazepin-2-oneBRN 0760467CHEMBL3248354DTXSID20961346DJELTHIJGDTVJH-UHFFFAOYSA-NOxazepam, 3-O-[2-hydroxyethyl]-7-Chloro-3-(2-hydroxyethoxy)-5-phenyl-3H-1,4-benzodiazepin-2-ol7-Chloro-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #
Database identifiers
- CAS
40967-00-8- PubChem CID
- 38729
- DTXSID
DTXSID20961346- ChEMBL
CHEMBL3248354- Nikkaji
- J69.321I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
LogP1.99
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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