1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-4-(4-nitrobenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-4-(4-nitrobenzene-1-sulfonyl)piperazine
1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-4-(4-nitrobenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | Y502-7717 |
| Compound Name: | 1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-4-(4-nitrobenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C16 H21 N5 O6 S2 |
| Smiles: | CCn1cc(c(C)n1)S(N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9532 |
| logD: | 0.9532 |
| logSw: | -2.1982 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 111.705 |
| InChI Key: | BKULEHMWWHAQEA-UHFFFAOYSA-N |