1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
Compound characteristics
| Compound ID: | C263-0123 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C22 H23 Cl N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1ccccc1[Cl])=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8113 |
| logD: | 4.8113 |
| logSw: | -4.8897 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | BPTQUEIIPAGKRD-UHFFFAOYSA-N |