rel-(2R,7aS)-N-[(2,5-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[(2,5-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[(2,5-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-1097 |
| Compound Name: | rel-(2R,7aS)-N-[(2,5-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | Cc1ccc(C)c(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2cccc(c2)OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5838 |
| logD: | 3.5836 |
| logSw: | -3.6555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.47 |
| InChI Key: | FQTSKFUAOJJJFE-GBXCKJPGSA-N |