2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7827 |
| Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(Cc2ccccc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0172 |
| logD: | 4.0172 |
| logSw: | -4.1023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | VDRXJGFEKNNUHV-UHFFFAOYSA-N |