2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7702 |
| Compound Name: | 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | CCc1nnc(n1n1cccc1)SCC(Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9147 |
| logD: | 2.9147 |
| logSw: | -3.1723 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.544 |
| InChI Key: | JKMKMOQYKBWOBQ-UHFFFAOYSA-N |