methyl 4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
methyl 4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1301 |
| Compound Name: | methyl 4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 593.6 |
| Molecular Formula: | C26 H22 F3 N3 O6 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4325 |
| logD: | 4.4317 |
| logSw: | -4.4584 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.463 |
| InChI Key: | IDGMJWABYYGCOB-UHFFFAOYSA-N |