N-(2,6-dimethylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7678 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(C)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1093 |
| logD: | 2.1092 |
| logSw: | -2.4753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.949 |
| InChI Key: | SLWUICKQECWCJG-UHFFFAOYSA-N |