6,7-diethoxy-3-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7682 |
| Compound Name: | 6,7-diethoxy-3-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C30 H32 N4 O4 S |
| Smiles: | CCOc1cc2C(N(C(Nc2cc1OCC)=S)c1ccc(CC(N2CCN(CC2)c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5662 |
| logD: | 3.4623 |
| logSw: | -3.7347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.508 |
| InChI Key: | YUODFIGYTWOWQC-UHFFFAOYSA-N |