N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(quinolin-8-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(quinolin-8-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(quinolin-8-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0064 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(quinolin-8-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C23 H28 N6 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccc4cccnc34)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2863 |
| logD: | 0.388 |
| logSw: | -2.2496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.572 |
| InChI Key: | RZILBGNFJOFNOW-PMACEKPBSA-N |