3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7482 |
| Compound Name: | 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCOc1cc2C(N(CCCC(N3CCc4ccccc4C3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8833 |
| logD: | 2.8614 |
| logSw: | -3.4263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.771 |
| InChI Key: | NIGKGTAPPJQPJZ-UHFFFAOYSA-N |