4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C263-0262 |
| Compound Name: | 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C(C)(C)C)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9006 |
| logD: | 3.9006 |
| logSw: | -4.0539 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.323 |
| InChI Key: | VLQDZQYBMZCCDT-UHFFFAOYSA-N |