3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-cyclopropyl-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-cyclopropyl-4-methyl-4H-1,2,4-triazole
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-cyclopropyl-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-5349 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-cyclopropyl-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 297.78 |
| Molecular Formula: | C13 H13 Cl F N3 S |
| Smiles: | Cn1c(C2CC2)nnc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.726 |
| logD: | 3.7255 |
| logSw: | -3.8973 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.5739 |
| InChI Key: | GANPVXUPRFCILA-UHFFFAOYSA-N |