methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2123 |
| Compound Name: | methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 624.69 |
| Molecular Formula: | C29 H28 N4 O8 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1CCc1ccc(cc1)S(N)(=O)=O)=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5181 |
| logD: | 3.5174 |
| logSw: | -3.9679 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.429 |
| InChI Key: | BQAWNIGHUFXQSZ-UHFFFAOYSA-N |