rel-(10xi,13xi,17xi,19E)-19-[2-(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]-3,5,14-trihydroxy-14xi-card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,17xi,19E)-19-[2-(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]-3,5,14-trihydroxy-14xi-card-20(22)-enolide
rel-(10xi,13xi,17xi,19E)-19-[2-(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]-3,5,14-trihydroxy-14xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | K204-0036 |
| Compound Name: | rel-(10xi,13xi,17xi,19E)-19-[2-(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]-3,5,14-trihydroxy-14xi-card-20(22)-enolide |
| Molecular Weight: | 672.22 |
| Molecular Formula: | C38 H42 Cl N3 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1c(c2ccccc2)c2cc(ccc2[nH]1)[Cl])=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8872 |
| logD: | 4.8863 |
| logSw: | -4.8529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 113.432 |
| InChI Key: | DSFGYHDOOABSRG-CWLHPZLBSA-N |