1-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
1-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | SB33-0976 |
| Compound Name: | 1-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C19 H22 N6 O |
| Smiles: | CN1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(c1cccn1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4576 |
| logD: | 0.854 |
| logSw: | -2.7457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.407 |
| InChI Key: | WCRJHLLNCWBNJO-GJZGRUSLSA-N |