N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1297 |
| Compound Name: | N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | Cc1cc(ccc1C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(C1CCOCC1)=O)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 1.5698 |
| logD: | 1.5691 |
| logSw: | -2.2433 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.869 |
| InChI Key: | FRFQLZURMOIOQB-APWZRJJASA-N |