3-[1-(2-chlorophenoxy)ethyl]-5-{[(3-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[1-(2-chlorophenoxy)ethyl]-5-{[(3-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-[1-(2-chlorophenoxy)ethyl]-5-{[(3-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-3030 |
| Compound Name: | 3-[1-(2-chlorophenoxy)ethyl]-5-{[(3-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 420.36 |
| Molecular Formula: | C20 H19 Cl2 N3 O S |
| Smiles: | CC(c1nnc(n1CC=C)SCc1cccc(c1)[Cl])Oc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1675 |
| logD: | 6.1675 |
| logSw: | -6.2055 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.0948 |
| InChI Key: | AWQKAWKOQFMIJT-AWEZNQCLSA-N |