N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | C191-0107 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C22 H23 N3 O7 |
| Smiles: | COc1cc2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4758 |
| logD: | 1.4596 |
| logSw: | -2.3184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.307 |
| InChI Key: | MDWMIVBHNUANKY-UHFFFAOYSA-N |