3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethylbutanoate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethylbutanoate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethylbutanoate
Compound characteristics
| Compound ID: | C263-0331 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethylbutanoate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CCC(CC)C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8883 |
| logD: | 4.8883 |
| logSw: | -4.6341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.323 |
| InChI Key: | XHJMYHYZGVCRNO-UHFFFAOYSA-N |