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]thiophene-3-carbohydrazide
Chemical Structure Depiction of
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]thiophene-3-carbohydrazide
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]thiophene-3-carbohydrazide
Compound characteristics
| Compound ID: | 8018-7781 |
| Compound Name: | 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]thiophene-3-carbohydrazide |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C19 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1)C1C2/C([C@@H]3OCC([C@H]2ON=1)O3)=N/NC(c1ccsc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1566 |
| logD: | 3.1562 |
| logSw: | -3.3799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.025 |
| InChI Key: | WLPRYIDFGAYGMT-KWVKDNTJSA-N |