3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3945 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 605.04 |
| Molecular Formula: | C28 H24 Cl F3 N4 O4 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1143 |
| logD: | 5.114 |
| logSw: | -5.3484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.789 |
| InChI Key: | XWORGSZERVMZNS-UHFFFAOYSA-N |