N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | P368-0417 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C21 H22 N2 O4 |
| Smiles: | [H]c1cccc2C(C(NCc3ccc4c(c3)OCO4)=O)N(CCc12)C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7912 |
| logD: | 2.7912 |
| logSw: | -3.1974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.406 |
| InChI Key: | DWABKPJOTXTATJ-HXUWFJFHSA-N |