5-[({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-tetrazole
Chemical Structure Depiction of
5-[({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-tetrazole
5-[({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-tetrazole
Compound characteristics
| Compound ID: | 8017-6311 |
| Compound Name: | 5-[({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-tetrazole |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C15 H14 N10 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1c1ccccc1)SCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.7474 |
| logD: | -1.3073 |
| logSw: | -2.0937 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.785 |
| InChI Key: | BPYRYPYNGJWSIT-UHFFFAOYSA-N |