N-[rel-(3R,4S)-1-(4-methoxy-2-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(4-methoxy-2-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(4-methoxy-2-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0202 |
| Compound Name: | N-[rel-(3R,4S)-1-(4-methoxy-2-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | Cc1cc(ccc1C(N1C[C@H]([C@@H](C1)c1nc(C)n[nH]1)NC(c1ccccc1)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0917 |
| logD: | 2.0913 |
| logSw: | -3.0853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.398 |
| InChI Key: | HTDASQBOCUZCLN-WOJBJXKFSA-N |