rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-yl acetate
Chemical Structure Depiction of
rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-yl acetate
rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-yl acetate
Compound characteristics
| Compound ID: | 8007-8196 |
| Compound Name: | rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-yl acetate |
| Molecular Weight: | 597.67 |
| Molecular Formula: | C30 H39 N5 O8 |
| Smiles: | C/C([C@H]1[C@@H](CC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C[N+]([O-])=O)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5463 |
| logD: | 6.5447 |
| logSw: | -5.7984 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.66 |
| InChI Key: | UCEHKNHPQSKYBD-CZBMYBCQSA-N |