4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C263-0438 |
| Compound Name: | 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C26 H22 N2 O6 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c(c(C)n1)S(c1ccccc1)(=O)=O)OC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9236 |
| logD: | 4.9236 |
| logSw: | -4.7087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.866 |
| InChI Key: | IYFBWUILLPBIKL-UHFFFAOYSA-N |