3-[1-(2-chloro-5-methylphenoxy)ethyl]-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[1-(2-chloro-5-methylphenoxy)ethyl]-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-[1-(2-chloro-5-methylphenoxy)ethyl]-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8729 |
| Compound Name: | 3-[1-(2-chloro-5-methylphenoxy)ethyl]-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 442.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O S |
| Smiles: | CC(c1nnc(n1C)SCc1ccc(c(c1)[Cl])[Cl])Oc1cc(C)ccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4064 |
| logD: | 6.4064 |
| logSw: | -6.3751 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.927 |
| InChI Key: | DVCPPHVRADBVPQ-LBPRGKRZSA-N |