2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7834 |
| Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | Cc1ccc(cc1C)NC(CSc1nnc(Cc2ccccc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5812 |
| logD: | 4.5812 |
| logSw: | -4.4269 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | HGYNWQQOZNUNCV-UHFFFAOYSA-N |