3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-9801 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCc1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.8842 |
| logD: | 5.8842 |
| logSw: | -5.5364 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.431 |
| InChI Key: | STSFYICEJSABFN-UHFFFAOYSA-N |