3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl methoxyacetate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl methoxyacetate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl methoxyacetate
Compound characteristics
| Compound ID: | C263-0379 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl methoxyacetate |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C19 H17 N3 O7 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(COC)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1727 |
| logD: | 2.1727 |
| logSw: | -2.5474 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.533 |
| InChI Key: | SIEBEYXYKXRIOF-UHFFFAOYSA-N |