4-{1-[(7-chloro-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-methoxyphenyl)butanamide
Chemical Structure Depiction of
4-{1-[(7-chloro-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-methoxyphenyl)butanamide
4-{1-[(7-chloro-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-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C200-1150 |
| Compound Name: | 4-{1-[(7-chloro-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-methoxyphenyl)butanamide |
| Molecular Weight: | 552.01 |
| Molecular Formula: | C26 H22 Cl N5 O5 S |
| Smiles: | COc1ccc(cc1)NC(CCCN1C(c2c(ccs2)N(CC2=CC(N3C=C(C=CC3=N2)[Cl])=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3031 |
| logD: | 2.3031 |
| logSw: | -3.3205 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.462 |
| InChI Key: | PKILIBGIHIWEGF-UHFFFAOYSA-N |