3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-3880 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 424.3 |
| Molecular Formula: | C18 H15 Cl2 N3 O3 S |
| Smiles: | Cn1c(COc2ccc3c(c2)OCO3)nnc1SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3792 |
| logD: | 4.3792 |
| logSw: | -4.451 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.642 |
| InChI Key: | LFUAWKUSCLADEU-UHFFFAOYSA-N |