3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl benzoate
3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | 4356-0131 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C23 H13 N O4 S |
| Smiles: | C1=C(C(=O)Oc2cc(ccc12)OC(c1ccccc1)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9256 |
| logD: | 4.9256 |
| logSw: | -5.0763 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.987 |
| InChI Key: | KHSORWOFDJUUMT-UHFFFAOYSA-N |