2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
Chemical Structure Depiction of
2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D430-1064 |
| Compound Name: | 2-methyl-4-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C20 H26 N6 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N1CCN(CC1)c1cc(nc(C)n1)N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2126 |
| logD: | 4.1496 |
| logSw: | -4.3887 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.22 |
| InChI Key: | WYEHDPKZKTXBKK-UHFFFAOYSA-N |