(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-1-(pentan-3-yl)piperidin-2-one
Basic information
- Standard SMILES
CCC(CC)N1C(=O)[C@@](C)(Cc2n[nH]c(=O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1- InChIKey
RIEUVQACKRGVBB-WHSBFGAESA-N- Molecular formula
- C26H30Cl2N4O2
- Average molar mass
- 501.4 g/mol
Names & identifiers
- Preferred name
- (3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-1-(pentan-3-yl)piperidin-2-one
- IUPAC
- (3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-pentan-3-ylpiperidin-2-one
Names & synonyms
SCHEMBL9991540CHEMBL4109978RIEUVQACKRGVBB-WHSBFGAESA-N(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-1-(pentan-3-yl)piperidin-2-one
Database identifiers
- PubChem CID
- 136172811
- ChEMBL
CHEMBL4109978
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 781
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Related reactions
2 records
Compound notes
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