3-(2H-1,3-benzodioxol-5-yl)-N-(1H-indol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(1H-indol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(2H-1,3-benzodioxol-5-yl)-N-(1H-indol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0431 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(1H-indol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C26 H21 N3 O4 |
| Smiles: | CN1C(C(C(Nc2ccc3c(cc[nH]3)c2)=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5929 |
| logD: | 3.5927 |
| logSw: | -3.7211 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.676 |
| InChI Key: | ZNLSSYXXRSTUGW-UHFFFAOYSA-N |