(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S254-0638 |
| Compound Name: | (2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide |
| Molecular Weight: | 435.42 |
| Molecular Formula: | C22 H21 F4 N3 O2 |
| Smiles: | C1CN(Cc2ccccc12)C([C@@H]1C[C@@H](CN1C(Nc1ccccc1C(F)(F)F)=O)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0346 |
| logD: | 4.0346 |
| logSw: | -4.2962 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.313 |
| InChI Key: | FBVUGGDYIKWRLP-APWZRJJASA-N |