2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E234-1631 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C29 H33 N3 O4 |
| Smiles: | CC1(Cn2c(cc3ccccc23)C(N1Cc1ccc2c(c1)OCO2)=O)C(NC1CCCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1648 |
| logD: | 6.1648 |
| logSw: | -6.1461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.183 |
| InChI Key: | IHUDHBSPLBLYOA-LJAQVGFWSA-N |