3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate
3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 5084-0014 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C25 H17 N O5 S |
| Smiles: | Cc1c(ccc2C(C(=COc12)c1nc2ccccc2s1)=O)OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2439 |
| logD: | 5.2439 |
| logSw: | -5.1846 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.273 |
| InChI Key: | CBGSTAFMJLFJOZ-UHFFFAOYSA-N |