N-(3-cyanophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3-cyanophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0112 |
| Compound Name: | N-(3-cyanophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C17 H14 N6 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3cccc(C#N)c3)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0266 |
| logD: | 2.0265 |
| logSw: | -2.9215 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.935 |
| InChI Key: | XNZZZBQICKTMSA-UHFFFAOYSA-N |