1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-6-fluorobenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-6-fluorobenzoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-6-fluorobenzoate
Compound characteristics
| Compound ID: | C263-0142 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-6-fluorobenzoate |
| Molecular Weight: | 464.94 |
| Molecular Formula: | C22 H22 Cl F N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1c(cccc1[Cl])F)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4858 |
| logD: | 4.4858 |
| logSw: | -4.8657 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | JBORGRLVDGUULC-UHFFFAOYSA-N |