3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(2-methyl-3-nitrophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(2-methyl-3-nitrophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(2-methyl-3-nitrophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C294-0431 |
| Compound Name: | 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(2-methyl-3-nitrophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(C1C(c2c[nH]c3ccccc23)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3009 |
| logD: | 4.2374 |
| logSw: | -4.3356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.588 |
| InChI Key: | HAWNXAVRSKYAPZ-UHFFFAOYSA-N |