3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0065 |
| Compound Name: | 3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | CN1CCN(CC1)C(CCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.866 |
| logD: | 0.6177 |
| logSw: | -2.345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.165 |
| InChI Key: | ZPVQWVPNTXFZHW-UHFFFAOYSA-N |