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]ethanethiohydrazide
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]ethanethiohydrazide
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]ethanethiohydrazide
Compound characteristics
| Compound ID: | 8018-7782 |
| 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]ethanethiohydrazide |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Smiles: | CC(N/N=C1/C2C(c3ccc(cc3)OC)=NO[C@@H]2C2CO[C@@H]1O2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9591 |
| logD: | 2.9506 |
| logSw: | -3.302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.48 |
| InChI Key: | WKUKFHWOJANEEF-TUHYSUIHSA-N |