3,5-dimethyl-1-(2-nitrobenzene-1-sulfonyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
Chemical Structure Depiction of
3,5-dimethyl-1-(2-nitrobenzene-1-sulfonyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
3,5-dimethyl-1-(2-nitrobenzene-1-sulfonyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
Compound characteristics
| Compound ID: | 3335-0211 |
| Compound Name: | 3,5-dimethyl-1-(2-nitrobenzene-1-sulfonyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C17 H14 N4 O6 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccccc1[N+]([O-])=O)(=O)=O)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2515 |
| logD: | 3.2515 |
| logSw: | -3.8372 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.049 |
| InChI Key: | POQLBUKSSHRHPG-UHFFFAOYSA-N |