3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0426 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate |
| Molecular Weight: | 522.49 |
| Molecular Formula: | C24 H18 N4 O8 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4305 |
| logD: | 4.4305 |
| logSw: | -4.5877 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 130.513 |
| InChI Key: | OUAIYPAELXFULH-UHFFFAOYSA-N |