1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]-4-methylpiperidine
Chemical Structure Depiction of
1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]-4-methylpiperidine
1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]-4-methylpiperidine
Compound characteristics
| Compound ID: | G680-0615 |
| Compound Name: | 1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]-4-methylpiperidine |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C17 H22 N4 O6 S2 |
| Smiles: | CC1CCN(CC1)S(c1c(C)nn(c1C)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0297 |
| logD: | 2.0297 |
| logSw: | -2.5442 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.951 |
| InChI Key: | HRIYGJGNVZVZSO-UHFFFAOYSA-N |