3-(1,3-benzothiazol-2-yl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K259-0010 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C22 H21 N O3 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1967 |
| logD: | 6.1831 |
| logSw: | -5.1345 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.157 |
| InChI Key: | OUCSDKLGDWSURX-UHFFFAOYSA-N |