N-{rel-(3R,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrrol-2-yl)methyl]piperidin-3-yl}oxane-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrrol-2-yl)methyl]piperidin-3-yl}oxane-4-carboxamide
N-{rel-(3R,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrrol-2-yl)methyl]piperidin-3-yl}oxane-4-carboxamide
Compound characteristics
| Compound ID: | S620-2500 |
| Compound Name: | N-{rel-(3R,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrrol-2-yl)methyl]piperidin-3-yl}oxane-4-carboxamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C19 H28 N6 O2 |
| Smiles: | Cc1nc([C@H]2CCN(Cc3ccc[nH]3)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3068 |
| logD: | 0.1481 |
| logSw: | -2.0157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.301 |
| InChI Key: | ATELKZAMMCAQTG-SJORKVTESA-N |