Basic information
- Standard SMILES
C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(c2ncc([N+](=O)[O-])cc2C)C1=O- InChIKey
KTRMVWZMCRBTTE-UHFFFAOYSA-N- Molecular formula
- C27H25Cl2N3O3
- Average molar mass
- 510.4 g/mol
Names & identifiers
- Preferred name
- 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(3-methyl-5-nitro-2-pyridinyl)-3-prop-2-enylpiperidin-2-one
- IUPAC
- 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(3-methyl-5-nitro-2-pyridinyl)-3-prop-2-enylpiperidin-2-one
Names & synonyms
SCHEMBL26181145
Database identifiers
- PubChem CID
- 76834830
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 784
Related reactions
2 records
Compound notes
Loading…