4-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
4-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | 8016-9444 |
| Compound Name: | 4-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C17 H23 N11 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCc1nc(N)nc(n1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.294 |
| logD: | 1.2693 |
| logSw: | -1.8449 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.451 |
| InChI Key: | OXHBBXUSIOUMOF-UHFFFAOYSA-N |