3-{[(3-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-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-4570 |
| Compound Name: | 3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C15 H15 F N6 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 1.8417 |
| logD: | 1.817 |
| logSw: | -1.9768 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.748 |
| InChI Key: | STMKZCMTSNXUEJ-UHFFFAOYSA-N |