1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]piperidine
Chemical Structure Depiction of
1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]piperidine
1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]piperidine
Compound characteristics
| Compound ID: | G680-0614 |
| Compound Name: | 1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]piperidine |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C16 H20 N4 O6 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5556 |
| logD: | 1.5556 |
| logSw: | -2.3171 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.951 |
| InChI Key: | DNWHMWOJTVFLKA-UHFFFAOYSA-N |