2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(piperidin-1-yl)pyrimidine
Chemical Structure Depiction of
2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(piperidin-1-yl)pyrimidine
2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(piperidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D430-1104 |
| Compound Name: | 2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(piperidin-1-yl)pyrimidine |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C21 H28 N6 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N1CCN(CC1)c1cc(nc(C)n1)N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6479 |
| logD: | 4.5849 |
| logSw: | -4.5051 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.854 |
| InChI Key: | PXJFOHDMEJPTFO-UHFFFAOYSA-N |