N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-4-yl)acetyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-4-yl)acetyl]pyrrolidin-3-yl}acetamide
N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-4-yl)acetyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB33-0481 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-4-yl)acetyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(Cc1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8476 |
| logD: | 0.8306 |
| logSw: | -1.6639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.041 |
| InChI Key: | GBYJODMJVFNKJX-QZTJIDSGSA-N |