Basic information
- CAS
258849-95-5- Standard SMILES
CC(C)NC(=O)N1Cc2cc(Cl)ccc2NC(=O)[C@@H]1C- InChIKey
ZZAWLPNEWRAXCI-VIFPVBQESA-N- Molecular formula
- C14H18ClN3O2
- Average molar mass
- 295.76 g/mol
- Monoisotopic mass
- 295.1087545
Names & identifiers
- Preferred name
- (S)-7-Chloro-3-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid isopropylamide
- IUPAC
- (3S)-7-chloro-3-methyl-2-oxo-N-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
Names & synonyms
258849-95-5(S)-7-Chloro-3-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid isopropylamide4H-1,4-Benzodiazepine-4-carboxamide, 7-chloro-1,2,3,5-tetrahydro-3-methyl-N-(1-methylethyl)-2-oxo-, (3S)-DTXSID40948775(3S)-7-chloro-N-isopropyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide(3S)-7-Chloro-3-methyl-2-oxo-N-(propan-2-yl)-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboximidic acid7-Chloro-3-methyl-2-oxo-N-(propan-2-yl)-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboximidic acidDihydrogen hexachloroplatinate(IV) solution in iso-propanol inverted exclamation mark degrees Speier OEs?Catalyst inverted exclamation mark+/-
Database identifiers
- CAS
258849-95-5- PubChem CID
- 475620
- DTXSID
DTXSID40948775
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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