N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-7484 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | CCOc1cc2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1334 |
| logD: | 2.1115 |
| logSw: | -3.1252 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.304 |
| InChI Key: | XMEBXKKWMSUWIJ-UHFFFAOYSA-N |