N-(3-chlorophenyl)-2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G786-1764 |
| Compound Name: | N-(3-chlorophenyl)-2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C20 H16 Cl N5 O3 S2 |
| Smiles: | CN1C(c2c(nc(c3cccs3)nc2SCC(Nc2cccc(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6962 |
| logD: | 4.696 |
| logSw: | -4.945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.952 |
| InChI Key: | IYWFBPBBYYQUJX-UHFFFAOYSA-N |