Basic information
- CAS
528584-95-4- Standard SMILES
C=CC1CCCN(CCCC)C(=O)N1c1ccccc1Cl- InChIKey
PMGUOCYRLJTCHW-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, 1-butyl-3-(2-chlorophenyl)-4-ethenylhexahydro-
- IUPAC
- 1-butyl-3-(2-chlorophenyl)-4-ethenyl-1,3-diazepan-2-one
Names & synonyms
1-butyl-3-(2-chlorophenyl)-4-ethenyl-1,3-diazepan-2-one528584-95-42H-1,3-Diazepin-2-one, 1-butyl-3-(2-chlorophenyl)-4-ethenylhexahydro-DTXSID70453185
Database identifiers
- CAS
528584-95-4- PubChem CID
- 11045003
- DTXSID
DTXSID70453185- Nikkaji
- J1.898.733C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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