N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9680 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C20 H19 N5 O S2 |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2cccs2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.866 |
| logD: | 3.866 |
| logSw: | -3.8671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.919 |
| InChI Key: | HITCUXIFIMRMFD-UHFFFAOYSA-N |