2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8008-4318 |
| Compound Name: | 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C21 H21 F N4 O2 S |
| Smiles: | C1CC(CNC(CSc2nnc(c3cccc(c3)F)n2c2ccccc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9238 |
| logD: | 2.9238 |
| logSw: | -3.2973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.838 |
| InChI Key: | WMBGAYRSNAITRP-GOSISDBHSA-N |