N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-1077 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | C1C(N(Cc2ccccc2)C(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3817 |
| logD: | 3.3817 |
| logSw: | -3.5248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.729 |
| InChI Key: | ZLWBVYFKTHOYRD-XMMPIXPASA-N |