3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-6158 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C22 H23 Cl F N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1C1CCCCC1)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.4192 |
| logD: | 6.4192 |
| logSw: | -6.4528 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.089 |
| InChI Key: | HVAWNRJYSVPMIY-UHFFFAOYSA-N |