methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2052 |
| Compound Name: | methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 582.65 |
| Molecular Formula: | C27 H26 N4 O7 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC(Nc1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6698 |
| logD: | 2.6691 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.608 |
| InChI Key: | NAHBHCSTMOJIPS-UHFFFAOYSA-N |