3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0300 |
| Compound Name: | 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | C(CN1C(c2ccccc2NC1=S)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6832 |
| logD: | 2.6818 |
| logSw: | -3.5578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | AJFYLFDFEDBSPJ-UHFFFAOYSA-N |