6-methoxy-3-{2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-3-{2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one
6-methoxy-3-{2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-1402 |
| Compound Name: | 6-methoxy-3-{2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 418.39 |
| Molecular Formula: | C20 H13 F3 N2 O3 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2csc(Nc3ccc(cc3)C(F)(F)F)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5997 |
| logD: | 5.5997 |
| logSw: | -5.5535 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.391 |
| InChI Key: | ITPUYXAXQLWHJI-UHFFFAOYSA-N |