3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | 5084-0050 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C22 H19 N O4 S |
| Smiles: | CC(C)C(=O)Oc1ccc2C(C(=C(C)Oc2c1C)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.098 |
| logD: | 5.098 |
| logSw: | -4.9548 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.466 |
| InChI Key: | QXQKFBOPEIBBHZ-UHFFFAOYSA-N |