1-[2-hydroxy-3-(2-hydroxy-3,3-dimethylbut-1-en-1-yl)-2H-1,4-benzothiazin-2-yl]-3,3-dimethylbutan-2-one
Chemical Structure Depiction of
1-[2-hydroxy-3-(2-hydroxy-3,3-dimethylbut-1-en-1-yl)-2H-1,4-benzothiazin-2-yl]-3,3-dimethylbutan-2-one
1-[2-hydroxy-3-(2-hydroxy-3,3-dimethylbut-1-en-1-yl)-2H-1,4-benzothiazin-2-yl]-3,3-dimethylbutan-2-one
Compound characteristics
| Compound ID: | 8013-1492 |
| Compound Name: | 1-[2-hydroxy-3-(2-hydroxy-3,3-dimethylbut-1-en-1-yl)-2H-1,4-benzothiazin-2-yl]-3,3-dimethylbutan-2-one |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C20 H27 N O3 S |
| Smiles: | CC(C)(C)/C(=C/C1C(CC(C(C)(C)C)=O)(O)Sc2ccccc2N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4448 |
| logD: | 4.3935 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.407 |
| InChI Key: | KTSLYWUKPHOUAD-FQEVSTJZSA-N |