1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0225 |
| Compound Name: | 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1C[C@H](C[C@H]1c1nc(C)[nH]n1)OCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3178 |
| logD: | 3.3164 |
| logSw: | -3.5381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.991 |
| InChI Key: | FIRMNHKFBHDJRI-RTWAWAEBSA-N |