N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7503 |
| Compound Name: | N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(NCc3ccccc3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8278 |
| logD: | 3.8207 |
| logSw: | -4.0092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.152 |
| InChI Key: | QHNRDBCZPKVJCE-UHFFFAOYSA-N |