rel-(6R,7aS)-1-oxo-N-[3-(piperidin-1-yl)propyl]-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-1-oxo-N-[3-(piperidin-1-yl)propyl]-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-1-oxo-N-[3-(piperidin-1-yl)propyl]-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0182 |
| Compound Name: | rel-(6R,7aS)-1-oxo-N-[3-(piperidin-1-yl)propyl]-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | C1CCN(CC1)CCCNC(C1[C@@H]2C(N(Cc3cccs3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6425 |
| logD: | -1.0117 |
| logSw: | -2.4194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.803 |
| InChI Key: | RDVFSDAPXVNJDO-JTOBOTFSSA-N |