2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3952 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 518.31 |
| Molecular Formula: | C22 H11 Br F3 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1csc(C(=C/Nc2cccc(c2)C(F)(F)F)/C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.22 |
| logD: | 6.2199 |
| logSw: | -6.298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.28 |
| InChI Key: | CGGCLLFSJBAYOC-UHFFFAOYSA-N |