methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1322 |
| Compound Name: | methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 639.7 |
| Molecular Formula: | C30 H29 N3 O9 S2 |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3cc(ccc3C(N2CCc2ccc(cc2)S(N)(=O)=O)=O)C(=O)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9841 |
| logD: | 3.9834 |
| logSw: | -4.2158 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.169 |
| InChI Key: | LNQBXQQCZSDCMI-UHFFFAOYSA-N |