N-[(3S,5S)-1-(3-fluoro-4-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-(3-fluoro-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(3-fluoro-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0219 |
| Compound Name: | N-[(3S,5S)-1-(3-fluoro-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C21 H26 F N5 O3 |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(C1CCOCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6702 |
| logD: | 1.6695 |
| logSw: | -2.1178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.325 |
| InChI Key: | KYUFBNSZJRIWOZ-AEFFLSMTSA-N |