N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0313 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 421.86 |
| Molecular Formula: | C17 H16 Cl N5 O4 S |
| Smiles: | COc1cc(c(cc1NC(CN1C=Nc2c(cnc(n2)SC)C1=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.066 |
| logD: | 2.0604 |
| logSw: | -3.1403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.442 |
| InChI Key: | CXTZZLLERGJYNF-UHFFFAOYSA-N |