rel-(3R,4S)-N-(3-chlorophenyl)-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-N-(3-chlorophenyl)-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
rel-(3R,4S)-N-(3-chlorophenyl)-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | T866-2002 |
| Compound Name: | rel-(3R,4S)-N-(3-chlorophenyl)-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 393.89 |
| Molecular Formula: | C18 H20 Cl N3 O3 S |
| Smiles: | CCS(N1C[C@@H](C(Nc2cccc(c2)[Cl])=O)[C@@H](C1)c1ccncc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5162 |
| logD: | 2.5051 |
| logSw: | -3.3525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.596 |
| InChI Key: | XANYQLNJTMNEBW-SJORKVTESA-N |