6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7483 |
| Compound Name: | 6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CCOc1cc2C(N(CCCC(N3CCN(C)CC3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7438 |
| logD: | 0.475 |
| logSw: | -2.433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.586 |
| InChI Key: | JLEBTLFHGYVHJO-UHFFFAOYSA-N |