rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0486 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C22 H27 Cl N4 O2 |
| Smiles: | CCn1c(C)c(CN(C)C([C@]2(C[C@@H]3CCC(N3C2)=O)c2ccccc2[Cl])=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0781 |
| logD: | 2.0781 |
| logSw: | -3.1758 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.589 |
| InChI Key: | MYKXMDHXDXNCMM-HTAPYJJXSA-N |