3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0414 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate |
| Molecular Weight: | 508.46 |
| Molecular Formula: | C23 H16 N4 O8 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccc(c1)[N+]([O-])=O)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8362 |
| logD: | 3.8362 |
| logSw: | -4.1157 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 130.814 |
| InChI Key: | IYWAPTLYWSYYIV-UHFFFAOYSA-N |