Basic information
- Standard SMILES
Cc1cc(-c2cccc(OC(F)(F)F)c2)nc(C)c1C(=O)N1CCC(N2CCC[C@H]2COC(=O)c2ccccc2)CC1- InChIKey
GFFKTIICAOGJTI-SANMLTNESA-N- Molecular formula
- C32H34F3N3O4
- Average molar mass
- 581.6 g/mol
Names & identifiers
- Preferred name
- benzoic acid (S)-1-{1-[2,4-dimethyl-6-(3-trifluoromethoxy-phenyl)-pyridine-3-carbonyl]-piperidin-4-yl}-pyrrolidin-2-ylmethyl ester
- IUPAC
- [(2S)-1-[1-[2,4-dimethyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-yl]methyl benzoate
Names & synonyms
benzoic acid (S)-1-{1-[2,4-dimethyl-6-(3-trifluoromethoxy-phenyl)-pyridine-3-carbonyl]-piperidin-4-yl}-pyrrolidin-2-ylmethyl esterSCHEMBL1085435
Database identifiers
- PubChem CID
- 66901636
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 906
Related reactions
1 records
Compound notes
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