3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1049 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 382.43 |
| Molecular Formula: | C17 H20 F2 N4 O2 S |
| Smiles: | Cc1ccc(cc1S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6522 |
| logD: | 2.6493 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.219 |
| InChI Key: | JMLLCSCWOXYLMR-TZMCWYRMSA-N |