(16E)-3-hydroxy-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]estra-1,3,5(10)-trien-17-one
Chemical Structure Depiction of
(16E)-3-hydroxy-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]estra-1,3,5(10)-trien-17-one
(16E)-3-hydroxy-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]estra-1,3,5(10)-trien-17-one
Compound characteristics
| Compound ID: | Y505-7178 |
| Compound Name: | (16E)-3-hydroxy-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]estra-1,3,5(10)-trien-17-one |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C23 H26 N2 O2 |
| Smiles: | CC12CCC3C(CCc4cc(ccc34)O)C1C/C(=C\c1ccnn1C)C2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6144 |
| logD: | 3.6142 |
| logSw: | -4.4415 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.989 |
| InChI Key: | ANYSKZGJSBHZPP-UHFFFAOYSA-N |