3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclohexylacetate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclohexylacetate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclohexylacetate
Compound characteristics
| Compound ID: | C263-0364 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclohexylacetate |
| Molecular Weight: | 483.54 |
| Molecular Formula: | C24 H25 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(CC1CCCCC1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8823 |
| logD: | 4.8823 |
| logSw: | -4.7323 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.03 |
| InChI Key: | XSKXKKSSIIHEGU-UHFFFAOYSA-N |