N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3373 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 589.04 |
| Molecular Formula: | C28 H24 Cl F3 N4 O3 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7956 |
| logD: | 4.7953 |
| logSw: | -4.817 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.37 |
| InChI Key: | RKRPAKJJDSFTAA-UHFFFAOYSA-N |