Basic information
- CAS
258849-82-0- Standard SMILES
CCC(=CCN1Cc2c(Cl)cccc2NC(=O)C1C)CC- InChIKey
BGPQOGAUFFLWBP-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- 6-Chloro-4-(3-ethyl-pent-2-enyl)-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
- IUPAC
- 6-chloro-4-(3-ethylpent-2-enyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-82-06-Chloro-4-(3-ethyl-pent-2-enyl)-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 6-chloro-4-(3-ethyl-2-pentenyl)-1,3,4,5-tetrahydro-3-methyl-DTXSID309487696-chloro-4-(3-ethylpent-2-enyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one6-Chloro-4-(3-ethylpent-2-en-1-yl)-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-ol
Database identifiers
- CAS
258849-82-0- PubChem CID
- 475607
- DTXSID
DTXSID30948769
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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