rel-(2R,3S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,3S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
rel-(2R,3S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
Compound characteristics
| Compound ID: | S681-0366 |
| Compound Name: | rel-(2R,3S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | CN1C(CO[C@@H](C(NCCN2CCc3ccccc3C2)=O)[C@@H]1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5805 |
| logD: | 1.0644 |
| logSw: | -2.0251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.105 |
| InChI Key: | MYDBOQCDXYOPMX-FGZHOGPDSA-N |