5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1355 |
| Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C17 H23 F N4 O3 S |
| Smiles: | CCCOc1ccc(cc1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2436 |
| logD: | 2.2431 |
| logSw: | -2.8944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.998 |
| InChI Key: | YAIMCFNUBOWKOA-CZUORRHYSA-N |