Basic information
- Standard SMILES
O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCCCCl)CC1- InChIKey
KZBXXOAULLAVPN-GQCTYLIASA-N- Molecular formula
- C18H21Cl3N2O2
- Average molar mass
- 403.7 g/mol
- Monoisotopic mass
- 402.066861
Names & identifiers
- Preferred name
- 4-(4-Chloro-butyl)-1-[(E)-3-(3,4-dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one
- IUPAC
- 4-(4-chlorobutyl)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one
Names & synonyms
SCHEMBL2904947KZBXXOAULLAVPN-GQCTYLIASA-N4-(4-Chloro-butyl)-1-[(E)-3-(3,4-dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one
Database identifiers
- PubChem CID
- 68435190
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
2 records
Compound notes
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