Basic information
- CAS
162931-18-2- Standard SMILES
CCCN1Cc2cc(Cl)ccc2NC(=O)C1C- InChIKey
LUJARFXHNNQWRJ-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1029409
Names & identifiers
- Preferred name
- 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-3-methyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
162931-18-27-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-propyl-7-chloro-3-methyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-oneDTXSID70936766
Database identifiers
- CAS
162931-18-2- PubChem CID
- 475602
- DTXSID
DTXSID70936766
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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