rel-(8xi,13xi)-2-bromo-17-oxoestra-1,3,5(10)-trien-3-yl acetate
Chemical Structure Depiction of
rel-(8xi,13xi)-2-bromo-17-oxoestra-1,3,5(10)-trien-3-yl acetate
rel-(8xi,13xi)-2-bromo-17-oxoestra-1,3,5(10)-trien-3-yl acetate
Compound characteristics
| Compound ID: | 8016-2033 |
| Compound Name: | rel-(8xi,13xi)-2-bromo-17-oxoestra-1,3,5(10)-trien-3-yl acetate |
| Molecular Weight: | 391.3 |
| Molecular Formula: | C20 H23 Br O3 |
| Smiles: | [H]C12CCc3cc(c(cc3[C@@]1([H])CCC1(C)C(CC[C@]12[H])=O)[Br])OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.976 |
| logD: | 3.976 |
| logSw: | -4.7199 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.452 |
| InChI Key: | IGZVPNAJLMAGND-JOBMURKTSA-N |