rel-(3aR,7R,8R,8aS)-3-(4-methoxyphenyl)-3a,4,5,7,8,8a-hexahydro-4,7-epoxyoxepino[4,5-d][1,2]oxazol-8-ol
Chemical Structure Depiction of
rel-(3aR,7R,8R,8aS)-3-(4-methoxyphenyl)-3a,4,5,7,8,8a-hexahydro-4,7-epoxyoxepino[4,5-d][1,2]oxazol-8-ol
rel-(3aR,7R,8R,8aS)-3-(4-methoxyphenyl)-3a,4,5,7,8,8a-hexahydro-4,7-epoxyoxepino[4,5-d][1,2]oxazol-8-ol
Compound characteristics
| Compound ID: | 8018-7779 |
| Compound Name: | rel-(3aR,7R,8R,8aS)-3-(4-methoxyphenyl)-3a,4,5,7,8,8a-hexahydro-4,7-epoxyoxepino[4,5-d][1,2]oxazol-8-ol |
| Molecular Weight: | 277.27 |
| Molecular Formula: | C14 H15 N O5 |
| Smiles: | COc1ccc(cc1)C1[C@@H]2C3CO[C@@H](C(C2ON=1)O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5854 |
| logD: | 1.5854 |
| logSw: | -1.6783 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.634 |
| InChI Key: | CTKFYNPDOYBZFQ-NIYGGVECSA-N |