2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(thiophen-2-yl)methyl]acetamide
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | L558-0940 |
| Compound Name: | 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1ncc2C(N(CC(NCc3cccs3)=O)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1662 |
| logD: | 3.1662 |
| logSw: | -3.2929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.898 |
| InChI Key: | QBYARHFANARQGB-UHFFFAOYSA-N |