2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
Chemical Structure Depiction of
2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
Compound characteristics
| Compound ID: | D026-0042 |
| Compound Name: | 2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C21 H19 N5 O2 S2 |
| Smiles: | CC(n1c2ccccc2nc1SCC(NC1=NN=C(CS1)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.69 |
| logD: | 3.6891 |
| logSw: | -3.9078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.989 |
| InChI Key: | VYCJSECIMROAOJ-UHFFFAOYSA-N |