(19E)-19-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-3-[(bromoacetyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Chemical Structure Depiction of
(19E)-19-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-3-[(bromoacetyl)oxy]-5,14-dihydroxycard-20(22)-enolide
(19E)-19-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-3-[(bromoacetyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | K007-0827 |
| Compound Name: | (19E)-19-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-3-[(bromoacetyl)oxy]-5,14-dihydroxycard-20(22)-enolide |
| Molecular Weight: | 672.64 |
| Molecular Formula: | C32 H38 Br N3 O6 S |
| Smiles: | [H]C12CCC3(C)C(CCC3(C1([H])CCC1(CC(CCC12/C=N/Nc1nc2ccccc2s1)OC(C[Br])=O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.36 |
| logD: | 2.0504 |
| logSw: | -4.7336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.013 |
| InChI Key: | NBJRFADZXIXCDP-UHFFFAOYSA-N |