6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7668 |
| Compound Name: | 6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Smiles: | CCOc1cc2C(N(CCCCC(N3CCN(CC3)c3ccc(cc3)OC)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1791 |
| logD: | 3.1569 |
| logSw: | -3.4808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.913 |
| InChI Key: | NTHYFDFNLKDIOC-UHFFFAOYSA-N |