3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0422 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate |
| Molecular Weight: | 542.91 |
| Molecular Formula: | C23 H15 Cl N4 O8 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7128 |
| logD: | 4.7128 |
| logSw: | -5.056 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 130.814 |
| InChI Key: | IKWIZBLWFAIFIJ-UHFFFAOYSA-N |