rel-(3R,4S)-N-[(2,5-dimethylphenyl)methyl]-1-(methanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-N-[(2,5-dimethylphenyl)methyl]-1-(methanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
rel-(3R,4S)-N-[(2,5-dimethylphenyl)methyl]-1-(methanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | T866-1817 |
| Compound Name: | rel-(3R,4S)-N-[(2,5-dimethylphenyl)methyl]-1-(methanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CNC([C@@H]2CN(C[C@H]2c2ccncc2)S(C)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.234 |
| logD: | 2.2247 |
| logSw: | -2.7065 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.516 |
| InChI Key: | LWIWCXCAXLIVDT-RBUKOAKNSA-N |