rel-(2R,7aR)-2-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aR)-2-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aR)-2-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SD57-0040 |
| Compound Name: | rel-(2R,7aR)-2-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | Cc1cccc(c1)[C@]1(C[C@@H]2CCC(N2C1)=O)C(NCc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5524 |
| logD: | 2.5524 |
| logSw: | -2.7252 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.945 |
| InChI Key: | XBMNSOGVUBCHSG-OXQOHEQNSA-N |