methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1316 |
| Compound Name: | methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 620.63 |
| Molecular Formula: | C27 H23 F3 N4 O6 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9599 |
| logD: | 3.9592 |
| logSw: | -4.1747 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.676 |
| InChI Key: | CUBMWYKNPGVYGU-UHFFFAOYSA-N |