N-(4-bromo-3-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromo-3-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7734 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 406.3 |
| Molecular Formula: | C16 H16 Br N5 O S |
| Smiles: | Cc1cc(ccc1[Br])NC(CSc1nnc(C)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0991 |
| logD: | 3.0991 |
| logSw: | -3.1912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.345 |
| InChI Key: | HMJLUOSOOCJDLD-UHFFFAOYSA-N |