3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1093 |
| Compound Name: | 3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C19 H25 F N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5935 |
| logD: | 3.5905 |
| logSw: | -3.8297 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.219 |
| InChI Key: | CUOJKQCIDKZHJY-NVXWUHKLSA-N |