2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Compound characteristics
| Compound ID: | D583-0670 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C20 H21 N7 O4 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(Nc1ccc2c(c1)NC(N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9882 |
| logD: | 0.9882 |
| logSw: | -2.4753 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.493 |
| InChI Key: | FOZCIWMBNPCLHR-UHFFFAOYSA-N |