3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4226 |
| Compound Name: | 3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 343.88 |
| Molecular Formula: | C18 H18 Cl N3 S |
| Smiles: | CCn1c(Cc2ccccc2)nnc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3815 |
| logD: | 4.3815 |
| logSw: | -4.5792 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9417 |
| InChI Key: | MWUMEOFRMNCKBP-UHFFFAOYSA-N |