6,7-diethoxy-3-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7548 |
| Compound Name: | 6,7-diethoxy-3-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CCOc1cc2C(N(CCC(N3CCC(=CC3)c3ccccc3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4866 |
| logD: | 3.4597 |
| logSw: | -3.7052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.838 |
| InChI Key: | UHMPTEDUIBJGRU-UHFFFAOYSA-N |