rel-(9xi,16Z)-16-{2-[(2,4-dinitrophenyl)carbamoyl]hydrazinylidene}beyeran-18-oic acid
Chemical Structure Depiction of
rel-(9xi,16Z)-16-{2-[(2,4-dinitrophenyl)carbamoyl]hydrazinylidene}beyeran-18-oic acid
rel-(9xi,16Z)-16-{2-[(2,4-dinitrophenyl)carbamoyl]hydrazinylidene}beyeran-18-oic acid
Compound characteristics
| Compound ID: | N062-0010 |
| Compound Name: | rel-(9xi,16Z)-16-{2-[(2,4-dinitrophenyl)carbamoyl]hydrazinylidene}beyeran-18-oic acid |
| Molecular Weight: | 541.6 |
| Molecular Formula: | C27 H35 N5 O7 |
| Smiles: | [H][C@]12CC[C@]34C/C([C@@](C)(CCC4[C@]1(C)CCC[C@@]2(C)C(O)=O)C3)=N/NC(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6948 |
| logD: | 2.4019 |
| logSw: | -4.5876 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 138.56 |
| InChI Key: | VXLVRWWWBQOCCJ-CMNUXUHISA-N |