3,5-di(furan-2-yl)-2-(3-methylphenyl)-6-nitro-2,3,4,5-tetrahydro-1,2,4-triazine
Chemical Structure Depiction of
3,5-di(furan-2-yl)-2-(3-methylphenyl)-6-nitro-2,3,4,5-tetrahydro-1,2,4-triazine
3,5-di(furan-2-yl)-2-(3-methylphenyl)-6-nitro-2,3,4,5-tetrahydro-1,2,4-triazine
Compound characteristics
| Compound ID: | 8002-0598 |
| Compound Name: | 3,5-di(furan-2-yl)-2-(3-methylphenyl)-6-nitro-2,3,4,5-tetrahydro-1,2,4-triazine |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | Cc1cccc(c1)N1C(c2ccco2)NC(C(=N1)[N+]([O-])=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7517 |
| logD: | 2.6865 |
| logSw: | -3.8431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.834 |
| InChI Key: | IDBLEEIPVIDKIW-UHFFFAOYSA-N |