4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5036 |
| Compound Name: | 4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 317.38 |
| Molecular Formula: | C16 H16 F N3 O S |
| Smiles: | CCn1c(c2ccoc2C)nnc1SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3624 |
| logD: | 3.3619 |
| logSw: | -3.5816 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.198 |
| InChI Key: | XJIILNBYEZBDKV-UHFFFAOYSA-N |