4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K284-3506 |
| Compound Name: | 4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 568.62 |
| Molecular Formula: | C29 H27 F3 N4 O3 S |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8729 |
| logD: | 3.8727 |
| logSw: | -4.0841 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.212 |
| InChI Key: | NVFIIAAVUYMYRR-UHFFFAOYSA-N |