N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-4-(propan-2-yl)benzene-1-sulfonamide
N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-0085 |
| Compound Name: | N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 378.53 |
| Molecular Formula: | C17 H18 N2 O2 S3 |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc2c(c1)sc(n2)SC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5308 |
| logD: | 5.4008 |
| logSw: | -5.5859 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.97 |
| InChI Key: | RHRCMBASVGPJTH-UHFFFAOYSA-N |