3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | C263-0327 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC(C)C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0357 |
| logD: | 4.0357 |
| logSw: | -4.0995 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.323 |
| InChI Key: | LNRWZTACLKIFIN-UHFFFAOYSA-N |