3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-4588 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C20 H17 Cl N6 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1c1ccccc1)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7135 |
| logD: | 3.7125 |
| logSw: | -3.8985 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.41 |
| InChI Key: | ACKSVVAJCXISGF-UHFFFAOYSA-N |