5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1323 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C17 H23 F N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6224 |
| logD: | 2.6219 |
| logSw: | -3.0859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.58 |
| InChI Key: | GYYBVFKXPFJQDT-GDBMZVCRSA-N |