N-[(2-bromophenyl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-[(2-bromophenyl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M143-0696 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C22 H18 Br N5 O2 S |
| Smiles: | COc1ccc(cc1)c1ncc2c(ncnc2n1)SCC(NCc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5735 |
| logD: | 4.5735 |
| logSw: | -4.2131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.786 |
| InChI Key: | QLHSDQSLZNFLFY-UHFFFAOYSA-N |