N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | C260-1095 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 539.55 |
| Molecular Formula: | C29 H25 N5 O6 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2ccccc2N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4405 |
| logD: | 1.4405 |
| logSw: | -2.5391 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.819 |
| InChI Key: | HXRJAZFOKAXVQN-UHFFFAOYSA-N |