2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-1681 |
| Compound Name: | 2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C26 H23 N5 O4 S |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(CC(NCc4ccc(C)cc4)=O)C(c4c3ccs4)=O)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5953 |
| logD: | 2.5953 |
| logSw: | -2.9832 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.408 |
| InChI Key: | PPEQIIADMLRZQA-UHFFFAOYSA-N |