2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | G731-0152 |
Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide |
Molecular Weight: | 412.9 |
Molecular Formula: | C19 H17 Cl N6 O S |
Smiles: | Cn1c2ccccc2nc1CNC(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 2.6705 |
logD: | 1.4788 |
logSw: | -3.6473 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.932 |
InChI Key: | CTXJWGVODCBQCL-UHFFFAOYSA-N |