Basic information
- CAS
62903-57-5- Standard SMILES
CC(OC1=NCC(=O)N(C)c2ccc(Cl)cc21)C(F)(F)F- InChIKey
ZENMZLBNOCJXSX-UHFFFAOYSA-N- Molecular formula
- C13H12ClF3N2O2
- Average molar mass
- 320.69 g/mol
- Monoisotopic mass
- 320.0539398
Names & identifiers
- Preferred name
- 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one
- IUPAC
- 7-chloro-1-methyl-5-(1,1,1-trifluoropropan-2-yloxy)-3H-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one
- Molecular formula
- C13H12ClF3N2O2
- Molecular weight
- 320.69
Names & synonyms
62903-57-57-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-oneBRN 06896603H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-1-METHYL-5-(1-TRIFLUOROMETHYLETHOXY)-CHEMBL3277015DTXSID90978688DB-3072797-Chloro-1-methyl-5-[(1,1,1-trifluoropropan-2-yl)oxy]-1,3-dihydro-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-(2,2,2-trifluoro-1-methylethoxy)-
Database identifiers
- CAS
62903-57-5- PubChem CID
- 44191
- DTXSID
DTXSID90978688- ChEMBL
CHEMBL3277015- Nikkaji
- J69.310C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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