3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-1091 |
| Compound Name: | 3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 522.97 |
| Molecular Formula: | C25 H22 Cl F3 N2 O3 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1csc(Nc2cc(ccc2[Cl])C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.5087 |
| logD: | 8.495 |
| logSw: | -6.0174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.698 |
| InChI Key: | QWMCOOBGFFZUIC-UHFFFAOYSA-N |