3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | S322-0318 |
| Compound Name: | 3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 644.15 |
| Molecular Formula: | C34 H30 Cl N3 O6 S |
| Smiles: | COCCN1C(C(C(Nc2ccc(c(c2)[Cl])OC)=O)c2ccccc2C1=O)c1cn(c2ccccc12)S(c1ccccc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3771 |
| logD: | 5.3623 |
| logSw: | -5.8883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.958 |
| InChI Key: | RLQCDBGBPLZBFE-UHFFFAOYSA-N |