N-(3-chloro-4-methoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0363 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 391.83 |
| Molecular Formula: | C16 H14 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C=Nc2c(cnc(n2)SC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2777 |
| logD: | 2.2775 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.509 |
| InChI Key: | FFAZJEJPTSCNAJ-UHFFFAOYSA-N |