3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-8-methoxy-2H-1-benzopyran-2-one
3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0222 |
| Compound Name: | 3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 452.84 |
| Molecular Formula: | C20 H12 Cl F3 N2 O3 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1csc(Nc2cc(ccc2[Cl])C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1556 |
| logD: | 6.1556 |
| logSw: | -6.3672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.464 |
| InChI Key: | LEMYTCXKQRYXFN-UHFFFAOYSA-N |