N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
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)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7508 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C28 H27 N3 O6 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(NCc3ccc4c(c3)OCO4)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7409 |
| logD: | 3.7338 |
| logSw: | -4.0156 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.267 |
| InChI Key: | LDJOJCRBRJRAQS-UHFFFAOYSA-N |