2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine
Chemical Structure Depiction of
2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine
2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine
Compound characteristics
| Compound ID: | 8002-0596 |
| Compound Name: | 2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine |
| Molecular Weight: | 462.42 |
| Molecular Formula: | C22 H18 N6 O6 |
| Smiles: | Cc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)NC(C(=N1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0502 |
| logD: | 3.9727 |
| logSw: | -4.762 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 124.44 |
| InChI Key: | IUMHCTKTFYOQKJ-UHFFFAOYSA-N |