4-{[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-{[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4652 |
| Compound Name: | 4-{[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 622.71 |
| Molecular Formula: | C33 H33 F3 N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1374 |
| logD: | 6.1372 |
| logSw: | -6.1398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.367 |
| InChI Key: | SJGNCAPBYKBRAL-UHFFFAOYSA-N |