Basic information
- Standard SMILES
C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(c2ccnc(Cl)n2)C1=O- InChIKey
VTLKAWNSIIKJFE-LFAGZIFBSA-N- Molecular formula
- C25H22Cl3N3O
- Average molar mass
- 486.8 g/mol
Names & identifiers
- Preferred name
- (3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(2-chloropyrimidin-4-yl)-3-methylpiperidin-2-one
- IUPAC
- (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(2-chloropyrimidin-4-yl)-3-methyl-3-prop-2-enylpiperidin-2-one
Names & synonyms
SCHEMBL9993512VTLKAWNSIIKJFE-LFAGZIFBSA-N(3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(2-chloropyrimidin-4-yl)-3-methylpiperidin-2-one
Database identifiers
- PubChem CID
- 86660722
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
Loading…