1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-methylbenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-methylbenzoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | C263-0122 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-methylbenzoate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1c(c(C)nn1C(C)(C)C)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5007 |
| logD: | 4.5007 |
| logSw: | -4.3386 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | TUDMMUSRQCKXES-UHFFFAOYSA-N |