2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0506 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C22 H13 Br N2 O2 S |
| Smiles: | Cc1ccc(\C=C(/C#N)c2nc(cs2)C2=Cc3cc(ccc3OC2=O)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0363 |
| logD: | 6.0363 |
| logSw: | -5.5906 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.679 |
| InChI Key: | XWWRUJYZZLGNTH-UHFFFAOYSA-N |