rel-(2R,7aS)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0791 |
| Compound Name: | rel-(2R,7aS)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C23 H30 N4 O2 |
| Smiles: | CCn1c(C)c(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2cccc(C)c2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8626 |
| logD: | 1.8626 |
| logSw: | -2.3475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.205 |
| InChI Key: | OVWUFCZLHXEMNS-WMZHIEFXSA-N |