3-(1,3-benzothiazol-2-yl)-6,8-di-tert-butyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6,8-di-tert-butyl-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-6,8-di-tert-butyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K259-0015 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6,8-di-tert-butyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C24 H25 N O2 S |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)C(C)(C)C)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 7.4187 |
| logD: | 7.4187 |
| logSw: | -5.7746 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.2932 |
| InChI Key: | DYLBCVDDTZOENJ-UHFFFAOYSA-N |