3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate
Compound characteristics
| Compound ID: | C263-0367 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate |
| Molecular Weight: | 537.55 |
| Molecular Formula: | C26 H23 N3 O8 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(Cc1ccc(c(c1)OC)OC)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6778 |
| logD: | 3.6778 |
| logSw: | -4.1612 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 112.098 |
| InChI Key: | SVBFQOHTKZNPDS-UHFFFAOYSA-N |