3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl acetate
3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 3570-0247 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C21 H17 N O4 S |
| Smiles: | CCc1cc2C(C(=C(C)Oc2cc1OC(C)=O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7364 |
| logD: | 4.7364 |
| logSw: | -4.6081 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.884 |
| InChI Key: | KCJBKWXVLKKRMG-UHFFFAOYSA-N |