3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8707 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 417.93 |
| Molecular Formula: | C21 H21 Cl F N3 O S |
| Smiles: | Cn1c(c2ccc(cc2)OC2CCCC2)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.6064 |
| logD: | 5.6064 |
| logSw: | -6.0189 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.871 |
| InChI Key: | JXKJEYJJKFNOLL-UHFFFAOYSA-N |