6,7-diethoxy-3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7342 |
| Compound Name: | 6,7-diethoxy-3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C25 H31 F N4 O3 S |
| Smiles: | CCOc1cc2C(N(CCCN3CCN(CC3)c3ccccc3F)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4171 |
| logD: | 3.162 |
| logSw: | -3.8833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.659 |
| InChI Key: | NSTLFIMEOXHKMA-UHFFFAOYSA-N |