3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-nitrobenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-nitrobenzoate
Compound characteristics
Compound ID: | C263-0415 |
Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-nitrobenzoate |
Molecular Weight: | 508.46 |
Molecular Formula: | C23 H16 N4 O8 S |
Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc(cc1)[N+]([O-])=O)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9362 |
logD: | 3.9362 |
logSw: | -4.1075 |
Hydrogen bond acceptors count: | 16 |
Polar surface area: | 130.814 |
InChI Key: | SIYPHTOQGSSHRY-UHFFFAOYSA-N |