rel-(10xi,13xi,14xi,17xi,19Z)-19-{2-[3-(3-bromobenzamido)benzoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19Z)-19-{2-[3-(3-bromobenzamido)benzoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19Z)-19-{2-[3-(3-bromobenzamido)benzoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | K204-0040 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19Z)-19-{2-[3-(3-bromobenzamido)benzoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide |
| Molecular Weight: | 720.66 |
| Molecular Formula: | C37 H42 Br N3 O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12\C=N/NC(c1cccc(c1)NC(c1cccc(c1)[Br])=O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3969 |
| logD: | 4.3844 |
| logSw: | -4.713 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 126.675 |
| InChI Key: | NMSPCYRUGUNCPZ-SDKJLYLDSA-N |