3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
Compound characteristics
| Compound ID: | C263-0432 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate |
| Molecular Weight: | 595.63 |
| Molecular Formula: | C29 H29 N3 O9 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4008 |
| logD: | 4.4008 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 119.15 |
| InChI Key: | BCKRTQMWCHDETR-UHFFFAOYSA-N |