N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzenesulfonamide
Chemical Structure Depiction of
N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzenesulfonamide
N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzenesulfonamide
Compound characteristics
| Compound ID: | M070-0967 |
| Compound Name: | N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzenesulfonamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C19 H15 N3 O2 S3 |
| Smiles: | C(c1cccnc1)Sc1nc2ccc(cc2s1)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1792 |
| logD: | 3.9732 |
| logSw: | -4.1726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.216 |
| InChI Key: | NMNQJHRYBFWXCE-UHFFFAOYSA-N |