rel-(2R,7aS)-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0863 |
| Compound Name: | rel-(2R,7aS)-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C22 H30 N2 O3 |
| Smiles: | Cc1cccc(c1)[C@@]1(C[C@@H]2CCC(N2C1)=O)C(NCCC1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9583 |
| logD: | 1.9583 |
| logSw: | -2.4892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.869 |
| InChI Key: | ARPGYGJFGILWJH-SIKLNZKXSA-N |