N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K284-5997 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 657.09 |
| Molecular Formula: | C27 H24 Cl F3 N4 O6 S2 |
| Smiles: | COc1cc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2cc1OC)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1053 |
| logD: | 4.0854 |
| logSw: | -4.5441 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.065 |
| InChI Key: | BNSAJKGSLJQUSL-UHFFFAOYSA-N |