N-benzyl-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-benzyl-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
N-benzyl-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3757 |
| Compound Name: | N-benzyl-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 554.59 |
| Molecular Formula: | C28 H25 F3 N4 O3 S |
| Smiles: | C(CC(NCc1ccccc1)=O)CN1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0982 |
| logD: | 4.0979 |
| logSw: | -4.2842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.37 |
| InChI Key: | XHFHBNGRZVCQSU-UHFFFAOYSA-N |