3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8016-6680 |
| Compound Name: | 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 413.28 |
| Molecular Formula: | C15 H14 Cl2 N6 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCc1c(cccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0019 |
| logD: | 2.9771 |
| logSw: | -3.4143 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.748 |
| InChI Key: | IUYGGRSDNQEBMX-UHFFFAOYSA-N |