4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3-methylbutanoate
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C263-0439 |
| Compound Name: | 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1c1ccc(C)cc1C)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9519 |
| logD: | 4.9519 |
| logSw: | -4.6426 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.427 |
| InChI Key: | HTHBXLRJCJRRLG-UHFFFAOYSA-N |