3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate
3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 5084-0011 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate |
| Molecular Weight: | 511.48 |
| Molecular Formula: | C26 H16 F3 N O5 S |
| Smiles: | Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1nc2ccccc2s1)=O)OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2569 |
| logD: | 6.2569 |
| logSw: | -5.6689 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.691 |
| InChI Key: | BNYUOZOFPGXLJQ-UHFFFAOYSA-N |