N-(2H-1,3-benzodioxol-5-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-0622 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C30 H30 N2 O5 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2ccc3c(c2)OCO3)=O)c2ccccc2C(N1C1CCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4726 |
| logD: | 5.4707 |
| logSw: | -5.3749 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.623 |
| InChI Key: | HWNVKFBEBCRIFU-UHFFFAOYSA-N |