2-[4-(6-nitro-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-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3953 |
| Compound Name: | 2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 484.41 |
| Molecular Formula: | C22 H11 F3 N4 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(C(=C/Nc2cccc(c2)C(F)(F)F)/C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4457 |
| logD: | 5.4456 |
| logSw: | -6.0843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.661 |
| InChI Key: | HMCYFQGAAOJGLJ-UHFFFAOYSA-N |