3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C263-0318 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3388 |
| logD: | 4.3388 |
| logSw: | -4.3193 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.728 |
| InChI Key: | JNXDFRPKWXGVSR-UHFFFAOYSA-N |