(16Z)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one
Chemical Structure Depiction of
(16Z)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one
(16Z)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one
Compound characteristics
| Compound ID: | Y508-4552 |
| Compound Name: | (16Z)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C24 H28 N2 O2 |
| Smiles: | Cc1c(/C=C2/CC3C4CCc5cc(ccc5C4CCC3(C)C2=O)O)cn(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7588 |
| logD: | 3.7586 |
| logSw: | -4.4998 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.02 |
| InChI Key: | BCCCZZPVWYISIP-UHFFFAOYSA-N |