2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C592-2637 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 445.59 |
| Molecular Formula: | C25 H27 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(Cc2cccn2C)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0827 |
| logD: | 4.0827 |
| logSw: | -4.1563 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.295 |
| InChI Key: | NIZATMVIQZLCIM-UHFFFAOYSA-N |