Basic information
- CAS
40967-05-3- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OCC(O)CO- InChIKey
PZDVAPOFNSWRFD-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O4
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.0876847
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-
- IUPAC
- 7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
BRN 07639401,3-Dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-2H-1,4-benzodiazepin-2-one40967-05-35-25-02-00237 (Beilstein Handbook Reference)2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-7-Chloro-1,3-dihydro-3-(2,3-dihydroxypropoxy)-5-phenyl-2H-1,4-benzodiazepin-2-oneRefChem:267886CHEMBL3249501DTXSID109613503-[(7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]propane-1,2-diol
Database identifiers
- CAS
40967-05-3- PubChem CID
- 38732
- DTXSID
DTXSID10961350- ChEMBL
CHEMBL3249501- Nikkaji
- J69.315D
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
- 25
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
LogP1.71
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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