4-fluoro-N-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]benzamide
Chemical Structure Depiction of
4-fluoro-N-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]benzamide
4-fluoro-N-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | K284-4901 |
| Compound Name: | 4-fluoro-N-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]benzamide |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C27 H24 F N5 O3 S |
| Smiles: | C1CN(CCN1C(CSC1=Nc2ccccc2C(N1NC(c1ccc(cc1)F)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5458 |
| logD: | 2.5091 |
| logSw: | -3.1022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.825 |
| InChI Key: | ACHKFOCJDCDHMG-UHFFFAOYSA-N |