Basic information
- CAS
40967-08-6- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OC(=O)C(Cl)(Cl)Cl- InChIKey
RXHIJLYQGHHNSU-UHFFFAOYSA-N- Molecular formula
- C17H10Cl4N2O3
- Average molar mass
- 432.1 g/mol
- Monoisotopic mass
- 429.944553
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-5-phenyl-, trichloroacetate
- IUPAC
- (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate
Names & synonyms
40967-08-62H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-5-phenyl-, trichloroacetateRefChem:10650537-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one trichloroacetateBRN 0715149CHEMBL3249503DTXSID309613527-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl trichloroacetate
Database identifiers
- CAS
40967-08-6- PubChem CID
- 38734
- DTXSID
DTXSID30961352- ChEMBL
CHEMBL3249503
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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