3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8706 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 405.92 |
| Molecular Formula: | C20 H21 Cl F N3 O S |
| Smiles: | CC(C)COc1ccc(cc1)c1nnc(n1C)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.9989 |
| logD: | 5.9989 |
| logSw: | -6.293 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.55 |
| InChI Key: | VCDCEABCHDMFJW-UHFFFAOYSA-N |