3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K256-0175 |
| Compound Name: | 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C19 H18 N6 O4 S |
| Smiles: | C1CN(CCN1C(CN1C(c2cccnc2NC1=S)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7165 |
| logD: | 1.6824 |
| logSw: | -2.7931 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.976 |
| InChI Key: | FOCQJWVIUKBTNO-UHFFFAOYSA-N |