rel-(1R,2R,4R)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(2-methoxyacetamido)-4-(phenoxymethyl)cyclopentane-1-carboxamide
Chemical Structure Depiction of
rel-(1R,2R,4R)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(2-methoxyacetamido)-4-(phenoxymethyl)cyclopentane-1-carboxamide
rel-(1R,2R,4R)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(2-methoxyacetamido)-4-(phenoxymethyl)cyclopentane-1-carboxamide
Compound characteristics
| Compound ID: | SD06-0821 |
| Compound Name: | rel-(1R,2R,4R)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(2-methoxyacetamido)-4-(phenoxymethyl)cyclopentane-1-carboxamide |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C27 H35 N3 O4 |
| Smiles: | COCC(N[C@@H]1C[C@@H](C[C@H]1C(NCCN1CCc2ccccc2C1)=O)COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8864 |
| logD: | 2.3939 |
| logSw: | -3.3698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.742 |
| InChI Key: | NDMQMOJRRCEOPK-YNJKOYDBSA-N |