N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0199 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C19 H27 N5 O |
| Smiles: | CCC(CC)N1C[C@H]([C@@H](C1)c1nc(C)n[nH]1)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1539 |
| logD: | -0.2213 |
| logSw: | -2.7839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.431 |
| InChI Key: | OLWPRJJGQCSDOA-IRXDYDNUSA-N |