2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(3-methylbutyl)-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]-3-methyl-N-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E234-2019 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | CC(C)CCNC(C1(C)Cn2c(cc3ccccc23)C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8404 |
| logD: | 4.8404 |
| logSw: | -5.0139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.24 |
| InChI Key: | BTMVACPKQKCQDB-SANMLTNESA-N |