N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-1313 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
| Molecular Weight: | 569.62 |
| Molecular Formula: | C31 H31 N5 O6 |
| Smiles: | COc1ccc(CCNC(CCCN2C(c3ccccc3N(CC3=CC(N4C=CC=CC4=N3)=O)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.8191 |
| logD: | 0.8191 |
| logSw: | -2.4471 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.806 |
| InChI Key: | HOKLNPRMKITCNA-UHFFFAOYSA-N |