Basic information
- Standard SMILES
Cc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)N1CCC(N2CCC[C@H]2COC(=O)c2ccccc2)CC1- InChIKey
AIKIYKHCSHZBPS-SANMLTNESA-N- Molecular formula
- C31H33F3N4O3
- Average molar mass
- 566.6 g/mol
Names & identifiers
- Preferred name
- benzoic acid (S)-1-[1-(4,6-dimethyl-5'-trifluoromethyl-[2,3']bipyridinyl-5-carbonyl)-piperidin-4-yl]-pyrrolidin-2-ylmethyl ester
- IUPAC
- [(2S)-1-[1-[2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-yl]methyl benzoate
Names & synonyms
benzoic acid (S)-1-[1-(4,6-dimethyl-5'-trifluoromethyl-[2,3']bipyridinyl-5-carbonyl)-piperidin-4-yl]-pyrrolidin-2-ylmethyl esterSCHEMBL1085318
Database identifiers
- PubChem CID
- 66901608
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 890
Related reactions
1 records
Compound notes
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