4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | C263-0470 |
| Compound Name: | 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 536.6 |
| Molecular Formula: | C28 H28 N2 O7 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c(c(C)n1)S(c1ccccc1)(=O)=O)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5528 |
| logD: | 4.5528 |
| logSw: | -4.483 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.728 |
| InChI Key: | JWBKIAVPOQYNCE-UHFFFAOYSA-N |