4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1356 |
| Compound Name: | 4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C27 H25 N5 O4 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(CC3=CC(N4C=CC=CC4=N3)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2493 |
| logD: | 2.2493 |
| logSw: | -2.7597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.722 |
| InChI Key: | KWQFZEADABOQKG-UHFFFAOYSA-N |