(16E)-16-[(3-bromophenyl)methylidene]-3-hydroxyandrost-5-en-17-one
Chemical Structure Depiction of
(16E)-16-[(3-bromophenyl)methylidene]-3-hydroxyandrost-5-en-17-one
(16E)-16-[(3-bromophenyl)methylidene]-3-hydroxyandrost-5-en-17-one
Compound characteristics
| Compound ID: | 3647-1875 |
| Compound Name: | (16E)-16-[(3-bromophenyl)methylidene]-3-hydroxyandrost-5-en-17-one |
| Molecular Weight: | 455.43 |
| Molecular Formula: | C26 H31 Br O2 |
| Smiles: | CC12CCC(CC2=CCC2C1CCC1(C)C2C/C(=C\c2cccc(c2)[Br])C1=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1081 |
| logD: | 6.1081 |
| logSw: | -5.6782 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1554 |
| InChI Key: | PNKGRZGCYRYABN-UHFFFAOYSA-N |