N-(2,4-dimethoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7647 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1nncn1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6058 |
| logD: | 1.6057 |
| logSw: | -2.4872 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.378 |
| InChI Key: | ZEHHUSDUCPCICL-UHFFFAOYSA-N |