N-(3-chloro-4-fluorophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0016 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 393.82 |
| Molecular Formula: | C16 H13 Cl F N5 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8958 |
| logD: | 2.8899 |
| logSw: | -3.4761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.879 |
| InChI Key: | OYQWARXUODXIQT-UHFFFAOYSA-N |