2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M143-0858 |
| Compound Name: | 2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C23 H18 F3 N5 O S |
| Smiles: | Cc1ccc(cc1)c1ncc2c(ncnc2n1)SCC(NCc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0152 |
| logD: | 5.0151 |
| logSw: | -4.5326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.242 |
| InChI Key: | QNMZBFZZGJOVMH-UHFFFAOYSA-N |