rel-(6R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0027 |
| Compound Name: | rel-(6R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | C(CN1CCOCC1)CN1C[C@]23C=C[C@H](C(C(NCc4cccs4)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6179 |
| logD: | 0.3706 |
| logSw: | -2.0876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.848 |
| InChI Key: | UNIRJNXYSDPFQW-SEFOKTEQSA-N |