methyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1317 |
| Compound Name: | methyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 558.68 |
| Molecular Formula: | C26 H30 N4 O6 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8126 |
| logD: | 2.8119 |
| logSw: | -3.6302 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.723 |
| InChI Key: | HFKUIUKSFRZPOS-UHFFFAOYSA-N |