1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclohexylacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclohexylacetate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclohexylacetate
Compound characteristics
| Compound ID: | C263-0082 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclohexylacetate |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C23 H32 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(CC1CCCCC1)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.949 |
| logD: | 4.949 |
| logSw: | -4.6482 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.615 |
| InChI Key: | QTVPSUQTWJUGHM-UHFFFAOYSA-N |