1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-bromobenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-bromobenzoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | C263-0126 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-bromobenzoate |
| Molecular Weight: | 491.4 |
| Molecular Formula: | C22 H23 Br N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1ccccc1[Br])=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.588 |
| logD: | 4.588 |
| logSw: | -4.5961 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | CSSKCRCFZZOMPZ-UHFFFAOYSA-N |