2,4-dibromo-8xi-estra-1,3,5(10)-triene-3,17-diyl diacetate
Chemical Structure Depiction of
2,4-dibromo-8xi-estra-1,3,5(10)-triene-3,17-diyl diacetate
2,4-dibromo-8xi-estra-1,3,5(10)-triene-3,17-diyl diacetate
Compound characteristics
| Compound ID: | 8016-2035 |
| Compound Name: | 2,4-dibromo-8xi-estra-1,3,5(10)-triene-3,17-diyl diacetate |
| Molecular Weight: | 514.25 |
| Molecular Formula: | C22 H26 Br2 O4 |
| Smiles: | [H]C12CCc3c(cc(c(c3[Br])OC(C)=O)[Br])[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]12[H])OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.481 |
| logD: | 5.481 |
| logSw: | -5.5169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.498 |
| InChI Key: | ZFBOQXLSMVXWTQ-HNKWVQGHSA-N |