3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C263-0315 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H20 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(c1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3105 |
| logD: | 4.3105 |
| logSw: | -4.4092 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.166 |
| InChI Key: | HQRPVSBLYDCQHT-UHFFFAOYSA-N |