N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0276 |
| Compound Name: | N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | Cc1cccc(C(N2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2329 |
| logD: | 1.2324 |
| logSw: | -2.0844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.276 |
| InChI Key: | OEZUSSIIXAROHA-SJLPKXTDSA-N |