N~2~-[(furan-3-yl)methyl]-N~4~-(4-methoxyphenyl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-[(furan-3-yl)methyl]-N~4~-(4-methoxyphenyl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diamine
N~2~-[(furan-3-yl)methyl]-N~4~-(4-methoxyphenyl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8006-9152 |
| Compound Name: | N~2~-[(furan-3-yl)methyl]-N~4~-(4-methoxyphenyl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 504.46 |
| Molecular Formula: | C23 H20 N8 O6 |
| Smiles: | COc1ccc(cc1)Nc1nc(NCc2ccoc2)nc(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1264 |
| logD: | 5.1261 |
| logSw: | -5.149 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.334 |
| InChI Key: | FCAQYGUKBNQOGV-UHFFFAOYSA-N |