1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one
1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB29-0555 |
| Compound Name: | 1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C25 H37 N5 O2 |
| Smiles: | CC(C)N1CCC(CC1)CC(N1C[C@H](C[C@H]1c1nc(C)[nH]n1)OCc1cccc(C)c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7945 |
| logD: | 1.3723 |
| logSw: | -3.9117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.548 |
| InChI Key: | LJAUQAPPZFFYMT-PKTZIBPZSA-N |