Basic information
- CAS
40967-01-9- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1OCCO- InChIKey
NFSVUJIJKGNQIM-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N2O3
- Average molar mass
- 365.2 g/mol
- Monoisotopic mass
- 364.0381477
Names & identifiers
- Preferred name
- 7-Chloro-5-(2-chlorophenyl)-3-(2-hydroxyethoxy)-3H-1,4-benzodiazepin-2-ol
- IUPAC
- 7-chloro-5-(2-chlorophenyl)-3-(2-hydroxyethoxy)-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
40967-01-9DTXSID809613477-Chloro-5-(2-chlorophenyl)-3-(2-hydroxyethoxy)-3H-1,4-benzodiazepin-2-olRefChem:1074402DTXCID3013891777-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-(2-hydroxyethoxy)-2H-1,4-benzodiazepin-2-oneBRN 07040432H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-chlorophenyl)-3-(2-hydroxyethoxy)-CHEMBL3249496
Database identifiers
- CAS
40967-01-9- PubChem CID
- 38730
- DTXSID
DTXSID80961347- ChEMBL
CHEMBL3249496- Nikkaji
- J69.313H
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
- 24
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
LogP2.04
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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