2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C677-0122 |
| Compound Name: | 2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3267 |
| logD: | 4.3261 |
| logSw: | -4.4025 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.117 |
| InChI Key: | GTALGWRUDDPIHW-UHFFFAOYSA-N |