Basic information
- CAS
56057-75-1- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1OCC(O)CO- InChIKey
RUZTZHORWNXEDM-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2N2O4
- Average molar mass
- 395.2 g/mol
- Monoisotopic mass
- 394.0487124
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-chlorophenyl)-3-(2,3-dihydroxypropoxy)-
- IUPAC
- 7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
BRN 07133487-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-(2,3-dihydroxypropoxy)-2H-1,4-benzodiazepin-2-one56057-75-15-25-02-00249 (Beilstein Handbook Reference)2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-chlorophenyl)-3-(2,3-dihydroxypropoxy)-RefChem:267891CHEMBL3249502DTXSID609714293-{[7-Chloro-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl]oxy}propane-1,2-diol
Database identifiers
- CAS
56057-75-1- PubChem CID
- 41699
- DTXSID
DTXSID60971429- ChEMBL
CHEMBL3249502- Nikkaji
- J69.311A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 533
Experimental & physicochemical properties
LogP1.96
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…