3-(1,3-benzothiazol-2-yl)-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
3-(1,3-benzothiazol-2-yl)-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | K259-0011 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C24 H23 N O4 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1OC(C)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4785 |
| logD: | 6.4785 |
| logSw: | -5.5503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.447 |
| InChI Key: | RVFITHHVIXXYGB-UHFFFAOYSA-N |