N-[rel-(3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | S620-3834 |
| Compound Name: | N-[rel-(3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C23 H33 N5 O2 |
| Smiles: | Cc1ccc(CN2CC[C@H](c3nc(C)n[nH]3)[C@@H](C2)NC(C2CCOCC2)=O)cc1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2364 |
| logD: | 1.3046 |
| logSw: | -2.7837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.739 |
| InChI Key: | DUIHZCDGLZPEMM-RTWAWAEBSA-N |