3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0159 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C17 H21 F N4 O3 S |
| Smiles: | COc1cccc(c1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2349 |
| logD: | 2.232 |
| logSw: | -2.8362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.762 |
| InChI Key: | ZVALXOAWCVIZDJ-IUODEOHRSA-N |