3-{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-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-{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-methoxyphenyl)methyl]propanamide
3-{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-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C241-1504 |
| Compound Name: | 3-{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-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C26 H23 N5 O5 S |
| Smiles: | COc1ccc(CNC(CCN2C(c3c(ccs3)N(CC3=CC(N4C=CC=CC4=N3)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0615 |
| logD: | 2.0615 |
| logSw: | -2.6379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.265 |
| InChI Key: | YGMQMUSSJRSFKM-UHFFFAOYSA-N |