methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2127 |
| Compound Name: | methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 601.1 |
| Molecular Formula: | C27 H25 Cl N4 O6 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2cc(ccc2C(N1CCc1ccc(cc1)S(N)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3069 |
| logD: | 4.3062 |
| logSw: | -4.5337 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.676 |
| InChI Key: | DKYIRGHWYHBSFM-UHFFFAOYSA-N |