3-(3,3-diethoxypropyl)-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
3-(3,3-diethoxypropyl)-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3893 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Smiles: | CCOC(CCN1C(=Nc2ccccc2C1=O)SCC(N1CCN(CC1)c1ccccc1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0604 |
| logD: | 3.0604 |
| logSw: | -3.5924 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.328 |
| InChI Key: | JJNDTPHAGKSXAV-UHFFFAOYSA-N |