N~2~,N~2~-dimethyl-6-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~,N~2~-dimethyl-6-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3,5-triazine-2,4-diamine
N~2~,N~2~-dimethyl-6-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8016-9443 |
| Compound Name: | N~2~,N~2~-dimethyl-6-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 405.44 |
| Molecular Formula: | C14 H19 N11 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCc1nc(N)nc(n1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 0.206 |
| logD: | 0.1714 |
| logSw: | -1.3279 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.803 |
| InChI Key: | JLBOIAONPGCJJL-UHFFFAOYSA-N |