3-(1,3-benzothiazol-2-yl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K259-0008 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C20 H17 N O3 S |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4436 |
| logD: | 5.415 |
| logSw: | -5.2675 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.841 |
| InChI Key: | BZGKMGFKYUXRKQ-UHFFFAOYSA-N |