2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3098 |
| Compound Name: | 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one |
| Molecular Weight: | 533.69 |
| Molecular Formula: | C29 H35 N5 O3 S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2ccccc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9827 |
| logD: | 2.9827 |
| logSw: | -3.6693 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.795 |
| InChI Key: | ABUGOJTURAZZLJ-UHFFFAOYSA-N |