3-{[(2-chloro-6-fluorophenyl)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-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-4469 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C15 H14 Cl F N6 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.4686 |
| logD: | 2.4439 |
| logSw: | -3.04 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.748 |
| InChI Key: | YHXANJRSVDPQHA-UHFFFAOYSA-N |