3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C263-0329 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(C(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.509 |
| logD: | 4.509 |
| logSw: | -4.3926 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.323 |
| InChI Key: | HMMMDWCOUPGULI-UHFFFAOYSA-N |