N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB33-0223 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C20 H22 N6 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccnc3)C[C@H]2NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7603 |
| logD: | 0.3539 |
| logSw: | -1.6454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.456 |
| InChI Key: | YBLMKEFZGUKBOD-ROUUACIJSA-N |