methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2129 |
| Compound Name: | methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 587.07 |
| Molecular Formula: | C26 H23 Cl N4 O6 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC(Nc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9675 |
| logD: | 2.9667 |
| logSw: | -3.5758 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.978 |
| InChI Key: | ULAJVERWSKDZGX-UHFFFAOYSA-N |