benzyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
benzyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
benzyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3570-0044 |
| Compound Name: | benzyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C25 H17 N O5 S |
| Smiles: | C(C(=O)OCc1ccccc1)Oc1ccc2C=C(C(=O)Oc2c1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0018 |
| logD: | 5.0018 |
| logSw: | -5.1477 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.371 |
| InChI Key: | YAQTYOZOJMDQDQ-UHFFFAOYSA-N |