N-(3-chloro-4-methoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0098 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 405.86 |
| Molecular Formula: | C17 H16 Cl N5 O3 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3ccc(c(c3)[Cl])OC)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6763 |
| logD: | 2.6761 |
| logSw: | -3.4051 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.509 |
| InChI Key: | IURCEDXTHSJAJG-UHFFFAOYSA-N |