3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0672 |
| Compound Name: | 3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C29 H28 N2 O3 S |
| Smiles: | CCCCCCCCOc1ccc(\C=C(/C#N)c2nc(cs2)C2=Cc3ccccc3OC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.3439 |
| logD: | 8.3439 |
| logSw: | -5.8265 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.096 |
| InChI Key: | ZSNSFPMQLBEEBH-UHFFFAOYSA-N |