2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C294-0678 |
| Compound Name: | 2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | Cn1cc(C2C(C(Nc3cccc(c3)SC)=O)c3ccccc3C(N2CCOC)=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.467 |
| logD: | 4.4668 |
| logSw: | -4.0993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.894 |
| InChI Key: | IIBHPQCATSRNOO-UHFFFAOYSA-N |