methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0089 |
| Compound Name: | methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 534.94 |
| Molecular Formula: | C25 H18 Cl F3 N2 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c1)SCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5675 |
| logD: | 6.5675 |
| logSw: | -6.2179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.882 |
| InChI Key: | BUJPUIMCCQARLH-UHFFFAOYSA-N |