N-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1198 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C25 H22 N2 O5 |
| Smiles: | CN1C(C(C(Nc2ccc3c(c2)OCO3)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4881 |
| logD: | 3.4862 |
| logSw: | -3.8236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.439 |
| InChI Key: | LJNZLJYHBYAOLH-UHFFFAOYSA-N |