rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]hydrazinylidene}card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]hydrazinylidene}card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]hydrazinylidene}card-20(22)-enolide
Compound characteristics
| Compound ID: | K204-0051 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]hydrazinylidene}card-20(22)-enolide |
| Molecular Weight: | 631.73 |
| Molecular Formula: | C34 H41 N5 O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1c(C(Nc2ccccc2)=O)nc[nH]1)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7528 |
| logD: | 1.7509 |
| logSw: | -3.216 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 149.044 |
| InChI Key: | ZOZQNWWRCFJXPR-BSRLJSBNSA-N |