3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4356-0402 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 391.37 |
| Molecular Formula: | C19 H12 F3 N O3 S |
| Smiles: | CCc1cc2C(C(=C(C(F)(F)F)Oc2cc1O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.104 |
| logD: | 4.9313 |
| logSw: | -4.6141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.546 |
| InChI Key: | MFHMVRSXKGLIJH-UHFFFAOYSA-N |