rel-(3R,4S)-1-(ethanesulfonyl)-N-[(3-fluorophenyl)methyl]-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-1-(ethanesulfonyl)-N-[(3-fluorophenyl)methyl]-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
rel-(3R,4S)-1-(ethanesulfonyl)-N-[(3-fluorophenyl)methyl]-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | T866-2072 |
| Compound Name: | rel-(3R,4S)-1-(ethanesulfonyl)-N-[(3-fluorophenyl)methyl]-4-(pyridin-4-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 391.46 |
| Molecular Formula: | C19 H22 F N3 O3 S |
| Smiles: | CCS(N1C[C@@H](C(NCc2cccc(c2)F)=O)[C@@H](C1)c1ccncc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4027 |
| logD: | 1.3934 |
| logSw: | -2.3131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.918 |
| InChI Key: | PNOBVYYKGGTLKJ-ZWKOTPCHSA-N |