N-(5-chloro-2-methylphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(5-chloro-2-methylphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0057 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C17 H16 Cl N5 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3cc(ccc3C)[Cl])=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6228 |
| logD: | 2.6227 |
| logSw: | -3.4127 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.181 |
| InChI Key: | MTLHAAKDNAZNDZ-UHFFFAOYSA-N |