3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-{[4-(trifluoromethyl)phenyl]methoxy}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-{[4-(trifluoromethyl)phenyl]methoxy}-4H-1-benzopyran-4-one
3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-{[4-(trifluoromethyl)phenyl]methoxy}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4356-0356 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-{[4-(trifluoromethyl)phenyl]methoxy}-4H-1-benzopyran-4-one |
| Molecular Weight: | 495.52 |
| Molecular Formula: | C27 H20 F3 N O3 S |
| Smiles: | CCc1cc2C(C(=C(C)Oc2cc1OCc1ccc(cc1)C(F)(F)F)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5263 |
| logD: | 7.5263 |
| logSw: | -5.7092 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.36 |
| InChI Key: | CZFCSQAEUJIUPC-UHFFFAOYSA-N |