rel-(2R,7aS)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0389 |
| Compound Name: | rel-(2R,7aS)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | COc1cccc(c1)[C@@]1(C[C@@H]2CCC(N2C1)=O)C(NCCCN1CCCc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0443 |
| logD: | 2.9883 |
| logSw: | -3.5093 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.125 |
| InChI Key: | TUBZDAVTWIRKHH-WXVAWEFUSA-N |