methyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1304 |
| Compound Name: | methyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C25 H21 F2 N3 O5 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCc1c(cccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7346 |
| logD: | 3.7339 |
| logSw: | -4.1902 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.526 |
| InChI Key: | CZTHUJAEGPJMSM-UHFFFAOYSA-N |