2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-9673 |
| Compound Name: | 2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C21 H21 N5 O S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nnc(c2cccs2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1946 |
| logD: | 4.1946 |
| logSw: | -4.1932 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.919 |
| InChI Key: | ZLSMFSPZPGMCKK-UHFFFAOYSA-N |