N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide
N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB33-0419 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C20 H22 N6 O |
| Smiles: | CC(N[C@@H]1CN(Cc2cccnc2)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1187 |
| logD: | 0.5992 |
| logSw: | -1.8501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.742 |
| InChI Key: | ZLIIPYXBESKEGH-ROUUACIJSA-N |