rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-(2-{4-[(pyridin-2-yl)carbamoyl]-1H-imidazole-5-carbonyl}hydrazinylidene)card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-(2-{4-[(pyridin-2-yl)carbamoyl]-1H-imidazole-5-carbonyl}hydrazinylidene)card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-(2-{4-[(pyridin-2-yl)carbamoyl]-1H-imidazole-5-carbonyl}hydrazinylidene)card-20(22)-enolide
Compound characteristics
| Compound ID: | K204-0043 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-(2-{4-[(pyridin-2-yl)carbamoyl]-1H-imidazole-5-carbonyl}hydrazinylidene)card-20(22)-enolide |
| Molecular Weight: | 632.72 |
| Molecular Formula: | C33 H40 N6 O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12\C=N/NC(c1c(C(Nc2ccccn2)=O)nc[nH]1)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4435 |
| logD: | 1.4217 |
| logSw: | -3.0911 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 158.659 |
| InChI Key: | PGHPOWXGDRKIQP-HBXHSVFJSA-N |