N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M143-0795 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methylphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C23 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1ncc2c(ncnc2n1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0556 |
| logD: | 4.0555 |
| logSw: | -3.9487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.358 |
| InChI Key: | ZAQSOZXDDSHZBG-UHFFFAOYSA-N |