2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K297-0899 |
| Compound Name: | 2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C26 H27 N5 O5 S2 |
| Smiles: | COc1cc(cc(c1)OC)Nc1c2ccccc2nc(n1)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3845 |
| logD: | 3.3836 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 116.531 |
| InChI Key: | XHELRQZMICXMLO-UHFFFAOYSA-N |