Basic information
- CAS
258849-93-3- Standard SMILES
C[C@H]1C(=O)Nc2ccc(Cl)cc2CN1CC(N)=O- InChIKey
ICOQLEJQWCOQLI-ZETCQYMHSA-N- Molecular formula
- C12H14ClN3O2
- Average molar mass
- 267.71 g/mol
- Monoisotopic mass
- 267.0774544
Names & identifiers
- Preferred name
- 4H-1,4-Benzodiazepine-4-acetamide, 7-chloro-1,2,3,5-tetrahydro-3-methyl-2-oxo-, (3S)-
- IUPAC
- 2-[(3S)-7-chloro-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetamide
Names & synonyms
258849-93-34H-1,4-Benzodiazepine-4-acetamide, 7-chloro-1,2,3,5-tetrahydro-3-methyl-2-oxo-, (3S)-2-((S)-7-Chloro-3-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)-acetamide2-[(3s)-7-chloro-3-methyl-2-oxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetamide2-[(3S)-7-chloro-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetamideDTXSID00180533
Database identifiers
- CAS
258849-93-3- PubChem CID
- 475618
- DTXSID
DTXSID00180533
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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