rel-(3aR,5R,7R,7aS)-5-[(3-chlorophenyl)methoxy]-7-hydroxy-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7R,7aS)-5-[(3-chlorophenyl)methoxy]-7-hydroxy-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7R,7aS)-5-[(3-chlorophenyl)methoxy]-7-hydroxy-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V001-3187 |
| Compound Name: | rel-(3aR,5R,7R,7aS)-5-[(3-chlorophenyl)methoxy]-7-hydroxy-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C20 H28 Cl N O6 |
| Smiles: | CC1(C)O[C@H]2[C@@H](C[C@@](C[C@H]2O1)(C(NCCOC)=O)OCc1cccc(c1)[Cl])O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6619 |
| logD: | 2.6619 |
| logSw: | -3.0861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.203 |
| InChI Key: | WZZSSUWUNHEOFM-AXVVYFOYSA-N |