rel-(3R,4S)-1-(ethanesulfonyl)-N-(3-ethylphenyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-1-(ethanesulfonyl)-N-(3-ethylphenyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
rel-(3R,4S)-1-(ethanesulfonyl)-N-(3-ethylphenyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | T866-2047 |
| Compound Name: | rel-(3R,4S)-1-(ethanesulfonyl)-N-(3-ethylphenyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | CCc1cccc(c1)NC([C@@H]1CN(C[C@H]1c1ccncc1)S(CC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5531 |
| logD: | 2.5438 |
| logSw: | -2.8789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.596 |
| InChI Key: | HNGBDEHKSUGWPD-RBUKOAKNSA-N |