N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-methylbenzamide
N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-methylbenzamide
Compound characteristics
| Compound ID: | K284-7505 |
| Compound Name: | N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-methylbenzamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C28 H29 N3 O4 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(N(C)Cc3ccccc3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.051 |
| logD: | 4.0439 |
| logSw: | -4.1702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.889 |
| InChI Key: | SHKMVEIJSPGABF-UHFFFAOYSA-N |