2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
Compound characteristics
| Compound ID: | D580-1040 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-1H-benzimidazol-6-yl)acetamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C22 H25 N7 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1ccc2c(c1)[nH]c(C)n2)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2 |
| logD: | 1.9951 |
| logSw: | -2.8613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.67 |
| InChI Key: | JBPWXBKMOXIFBK-UHFFFAOYSA-N |