3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V015-1147 |
| Compound Name: | 3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 379.52 |
| Molecular Formula: | C22 H25 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(C2CCCCC2)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3064 |
| logD: | 5.3064 |
| logSw: | -5.2319 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.448 |
| InChI Key: | PSQNMHWWFMRAOQ-UHFFFAOYSA-N |