3-(1,3-benzothiazol-2-yl)-7-[(pentafluorophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-7-[(pentafluorophenyl)methoxy]-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-7-[(pentafluorophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4356-0678 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-7-[(pentafluorophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 475.39 |
| Molecular Formula: | C23 H10 F5 N O3 S |
| Smiles: | C(c1c(c(c(c(c1F)F)F)F)F)Oc1ccc2C=C(C(=O)Oc2c1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.2282 |
| logD: | 6.2282 |
| logSw: | -6.0191 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.837 |
| InChI Key: | CBXLRWIQTWBVJV-UHFFFAOYSA-N |