N-{2-[(2-hydroxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3,5,6-tetramethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(2-hydroxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3,5,6-tetramethylbenzene-1-sulfonamide
N-{2-[(2-hydroxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3,5,6-tetramethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-1430 |
| Compound Name: | N-{2-[(2-hydroxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3,5,6-tetramethylbenzene-1-sulfonamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C19 H22 N2 O3 S3 |
| Smiles: | Cc1cc(C)c(C)c(c1C)S(Nc1ccc2c(c1)sc(n2)SCCO)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0693 |
| logD: | 4.0752 |
| logSw: | -4.7009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.625 |
| InChI Key: | WIRJMPHPIHWHHJ-UHFFFAOYSA-N |