Basic information
- CAS
258849-79-5- Standard SMILES
CC(C)=CCN1Cc2cc(Cl)ccc2NC(=O)C1C- InChIKey
BMXHIWFGSDDOJQ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
- English name
- Aids086143
- Molecular formula
- C15H19ClN2O
- Molecular weight
- 278.77716
Names & synonyms
258849-79-57-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-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-(3-methyl-2-butenyl)-7-chloro-3-methyl-4-(3-methylbut-2-en-1-yl)-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-oneDTXSID509487667-chloro-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-oneAids086143Aids-086143
Database identifiers
- CAS
258849-79-5- PubChem CID
- 475604
- DTXSID
DTXSID50948766
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…