N-(3,5-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-(3,5-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,5-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9703 |
| Compound Name: | N-(3,5-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: | Cc1cc(C)cc(c1)NC(CSc1nnc(c2cccs2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3743 |
| logD: | 4.3743 |
| logSw: | -4.281 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.314 |
| InChI Key: | BDQLBWGDAUETPX-UHFFFAOYSA-N |