2-methyl-4-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
Chemical Structure Depiction of
2-methyl-4-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
2-methyl-4-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D430-1063 |
| Compound Name: | 2-methyl-4-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C19 H24 N6 O4 S |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5026 |
| logD: | 3.4396 |
| logSw: | -3.8186 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.521 |
| InChI Key: | ZFRSGDWCGWONDZ-UHFFFAOYSA-N |