N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0980 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | Cc1cc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCOCC2)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3834 |
| logD: | -0.4117 |
| logSw: | -2.5135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.669 |
| InChI Key: | WQDHPZRGBXDCNJ-OALUTQOASA-N |