2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C592-3904 |
| Compound Name: | 2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(Cc2cccn2C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0577 |
| logD: | 2.0577 |
| logSw: | -2.4452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.376 |
| InChI Key: | UVPSULRIMHBMNC-UHFFFAOYSA-N |