3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-difluorobenzene-1-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-difluorobenzene-1-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-difluorobenzene-1-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1055 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-difluorobenzene-1-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 386.39 |
| Molecular Formula: | C16 H17 F3 N4 O2 S |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)S(c2cc(cc(c2)F)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5062 |
| logD: | 2.5033 |
| logSw: | -2.7503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.219 |
| InChI Key: | LWOUEQFNYIERDQ-QMTHXVAHSA-N |