3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C263-0373 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 507.48 |
| Molecular Formula: | C24 H17 N3 O8 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc2c(c1)OCO2)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8128 |
| logD: | 3.8128 |
| logSw: | -4.1062 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 114.548 |
| InChI Key: | OXCBVAKQTOYXQS-UHFFFAOYSA-N |