N-[(5-bromo-2-methoxyphenyl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0122 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C18 H18 Br N5 O3 S |
| Smiles: | CCSc1ncc2C(N(CC(NCc3cc(ccc3OC)[Br])=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6367 |
| logD: | 2.6367 |
| logSw: | -2.9735 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.831 |
| InChI Key: | GYUDJKILTCJIIS-UHFFFAOYSA-N |