rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0529 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 400.91 |
| Molecular Formula: | C21 H25 Cl N4 O2 |
| Smiles: | Cc1c(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2ccccc2[Cl])=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7048 |
| logD: | 1.7048 |
| logSw: | -3.0622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.766 |
| InChI Key: | YCOGNKOHXWTXHO-YCRPNKLZSA-N |