N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-diethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-diethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-diethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Compound characteristics
| Compound ID: | K221-3393 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-diethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)hexanamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C26 H31 N3 O7 |
| Smiles: | CCOc1cc2C(N(CCCCCC(NCc3ccc4c(c3)OCO4)=O)C(Nc2cc1OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7772 |
| logD: | 2.761 |
| logSw: | -3.2275 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.466 |
| InChI Key: | KJOSRWVABFOHSW-UHFFFAOYSA-N |