3-(5-chloro-2-methoxyphenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(5-chloro-2-methoxyphenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2308 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 406.33 |
| Molecular Formula: | C19 H17 Cl2 N3 O S |
| Smiles: | COc1ccc(cc1c1nnc(n1CC=C)SCc1ccc(cc1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2348 |
| logD: | 5.2348 |
| logSw: | -5.7048 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.85 |
| InChI Key: | GHARQUAMUYNCCG-UHFFFAOYSA-N |