4-cyano-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-cyano-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
4-cyano-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-1056 |
| Compound Name: | 4-cyano-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C20 H14 N4 O2 S3 |
| Smiles: | C(c1cccnc1)Sc1nc2ccc(cc2s1)NS(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0186 |
| logD: | 3.8126 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.272 |
| InChI Key: | DSQNOTRKTSZTDE-UHFFFAOYSA-N |