2-methyl-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-methyl-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-methyl-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C271-0442 |
| Compound Name: | 2-methyl-3-(1-methyl-1H-indol-3-yl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C27 H25 N3 O2 S |
| Smiles: | CN1C(C(C(Nc2cccc(c2)SC)=O)c2ccccc2C1=O)c1cn(C)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2276 |
| logD: | 4.2274 |
| logSw: | -4.2415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | NMIUKIJZIHXNQC-UHFFFAOYSA-N |