3-[(2S,4S)-4-(benzyloxy)-1-(5-fluoro-2-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S,4S)-4-(benzyloxy)-1-(5-fluoro-2-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
3-[(2S,4S)-4-(benzyloxy)-1-(5-fluoro-2-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0294 |
| Compound Name: | 3-[(2S,4S)-4-(benzyloxy)-1-(5-fluoro-2-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C21 H23 F N4 O4 S |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2S(c2cc(ccc2OC)F)(=O)=O)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8262 |
| logD: | 2.8248 |
| logSw: | -3.4286 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.489 |
| InChI Key: | AKLAVXCQQYNMBD-MSOLQXFVSA-N |