2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1H-benzimidazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1H-benzimidazol-2-yl)phenyl]acetamide
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1H-benzimidazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8009-1453 |
| Compound Name: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1H-benzimidazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 534.62 |
| Molecular Formula: | C23 H22 N10 O2 S2 |
| Smiles: | Cn1cnnc1SCC(Nc1ccc(cc1)c1nc2ccc(cc2[nH]1)NC(CSc1nncn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7942 |
| logD: | 1.7939 |
| logSw: | -2.5744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.545 |
| InChI Key: | QREFQYXJIFOPBC-UHFFFAOYSA-N |