4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C263-0251 |
| Compound Name: | 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7304 |
| logD: | 3.7304 |
| logSw: | -4.1625 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.728 |
| InChI Key: | UIPOJTDKSDIUIN-UHFFFAOYSA-N |