rel-(2R,7aS)-N-butyl-N-ethyl-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-butyl-N-ethyl-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-butyl-N-ethyl-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-1034 |
| Compound Name: | rel-(2R,7aS)-N-butyl-N-ethyl-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CCCCN(CC)C([C@]1(C[C@@H]2CCC(N2C1)=O)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8499 |
| logD: | 2.8499 |
| logSw: | -3.0087 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.243 |
| InChI Key: | VCGQBQOEXHQCEQ-LAUBAEHRSA-N |