rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0427 |
| Compound Name: | rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C25 H30 N2 O5 |
| Smiles: | COc1cccc(c1)[C@@]1(C[C@@H]2CCC(N2C1)=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7191 |
| logD: | 1.7191 |
| logSw: | -2.3647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.573 |
| InChI Key: | HBHOLYYWMKGUHO-UQBPGWFLSA-N |