3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4210 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 364.87 |
| Molecular Formula: | C17 H18 Cl F N4 S |
| Smiles: | CCn1c(Cc2cccn2C)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.2286 |
| logD: | 4.2283 |
| logSw: | -4.4343 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.8394 |
| InChI Key: | FVWQPWQNMPJBLI-UHFFFAOYSA-N |