N-(4-fluorophenyl)-2-{[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7782 |
| Compound Name: | N-(4-fluorophenyl)-2-{[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C20 H16 F N5 O S |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)Sc1nnc(c2ccccc2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.885 |
| logD: | 3.8848 |
| logSw: | -4.0841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.296 |
| InChI Key: | SHGFDMMNPJEKLA-UHFFFAOYSA-N |