rel-(2R,7aS)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0385 |
| Compound Name: | rel-(2R,7aS)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | COc1cccc(c1)[C@@]1(C[C@@H]2CCC(N2C1)=O)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3972 |
| logD: | 1.7934 |
| logSw: | -2.8025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.956 |
| InChI Key: | JYGYQPYTRCRNQV-BKMJKUGQSA-N |