5-fluoro-N'-[rel-(3aR,4Z,5S,8aR)-3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-ylidene]-1H-indole-2-carbohydrazide
Chemical Structure Depiction of
5-fluoro-N'-[rel-(3aR,4Z,5S,8aR)-3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-ylidene]-1H-indole-2-carbohydrazide
5-fluoro-N'-[rel-(3aR,4Z,5S,8aR)-3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-ylidene]-1H-indole-2-carbohydrazide
Compound characteristics
| Compound ID: | 8018-7785 |
| Compound Name: | 5-fluoro-N'-[rel-(3aR,4Z,5S,8aR)-3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-ylidene]-1H-indole-2-carbohydrazide |
| Molecular Weight: | 450.43 |
| Molecular Formula: | C23 H19 F N4 O5 |
| Smiles: | COc1ccc(cc1)C1C2/C([C@@H]3OCC([C@H]2ON=1)O3)=N/NC(c1cc2cc(ccc2[nH]1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1387 |
| logD: | 4.1383 |
| logSw: | -4.3747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.356 |
| InChI Key: | NFOVOJOJPSUICL-XTNJDMASSA-N |