4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate
Compound characteristics
| Compound ID: | C263-0006 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C22 H23 F N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(Cc1ccc(cc1)F)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5466 |
| logD: | 3.5466 |
| logSw: | -3.9091 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.423 |
| InChI Key: | XIHJDMXWXBYCEU-UHFFFAOYSA-N |