3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V007-7519 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 406.33 |
| Molecular Formula: | C19 H17 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1c1nnc(n1CC=C)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5596 |
| logD: | 5.5596 |
| logSw: | -5.9698 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.85 |
| InChI Key: | ZDLDXAMASZDWFT-UHFFFAOYSA-N |