3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate
3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 5084-0012 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 4-methoxybenzoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C26 H19 N O5 S |
| Smiles: | CC1=C(C(c2ccc(c(C)c2O1)OC(c1ccc(cc1)OC)=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6878 |
| logD: | 5.6878 |
| logSw: | -5.613 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.739 |
| InChI Key: | YZXUWYAWMDKBRV-UHFFFAOYSA-N |