methyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2128 |
| Compound Name: | methyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 594.71 |
| Molecular Formula: | C29 H30 N4 O6 S2 |
| Smiles: | CCN(C(CSC1=Nc2cc(ccc2C(N1CCc1ccc(cc1)S(N)(=O)=O)=O)C(=O)OC)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8462 |
| logD: | 3.8454 |
| logSw: | -3.9753 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.618 |
| InChI Key: | JNSXHAAXBALPCW-UHFFFAOYSA-N |