3-[6-(4-ethylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[6-(4-ethylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[6-(4-ethylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1131 |
| Compound Name: | 3-[6-(4-ethylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | CCN1CCN(CC1)C(CCCCCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.227 |
| logD: | 1.9066 |
| logSw: | -2.9838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.225 |
| InChI Key: | KSRPFDIYXKATBL-UHFFFAOYSA-N |