2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Chemical Structure Depiction of
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Compound characteristics
| Compound ID: | 8011-6259 |
| Compound Name: | 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C18 H17 F N4 O S |
| Smiles: | CN(C)C(CSc1nnc(c2cccc(c2)F)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8612 |
| logD: | 2.8611 |
| logSw: | -3.2782 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.457 |
| InChI Key: | QMYJGFIWMSHORH-UHFFFAOYSA-N |