3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4214 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 353.87 |
| Molecular Formula: | C15 H13 Cl F N3 S2 |
| Smiles: | Cn1c(Cc2cccs2)nnc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.9547 |
| logD: | 3.9547 |
| logSw: | -4.2059 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.0453 |
| InChI Key: | XLSFWIDLZJEJRY-UHFFFAOYSA-N |