3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(4-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(4-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(4-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | S322-0320 |
| Compound Name: | 3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(4-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 607.73 |
| Molecular Formula: | C35 H33 N3 O5 S |
| Smiles: | CCc1ccc(cc1)NC(C1C(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7972 |
| logD: | 5.797 |
| logSw: | -5.5943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.328 |
| InChI Key: | ICIISESKARYUAS-UHFFFAOYSA-N |