3-{[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-(propan-2-yl)-4H-1,2,4-triazole
3-{[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-3036 |
| Compound Name: | 3-{[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C16 H21 F N4 O2 S |
| Smiles: | CC(C)n1cnnc1CC1CCN(C1)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2727 |
| logD: | 2.2714 |
| logSw: | -2.6416 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.372 |
| InChI Key: | QQADTRNPXYOXES-ZDUSSCGKSA-N |