N-[(2-bromophenyl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-[(2-bromophenyl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M143-0841 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C22 H18 Br N5 O S |
| Smiles: | Cc1ccc(cc1)c1ncc2c(ncnc2n1)SCC(NCc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0145 |
| logD: | 5.0144 |
| logSw: | -4.5553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.242 |
| InChI Key: | NCFDGEXSIIQQMF-UHFFFAOYSA-N |