N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-3901 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C19 H17 N5 O S3 |
| Smiles: | Cn1cnnc1SCC(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.639 |
| logD: | 3.639 |
| logSw: | -3.9191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.692 |
| InChI Key: | BVKFPMLDRAKZKR-UHFFFAOYSA-N |