N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-1295 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | COCCN1C(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9556 |
| logD: | 1.9556 |
| logSw: | -2.5141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.322 |
| InChI Key: | IRDCMCGOLVEISZ-HXUWFJFHSA-N |