6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(3,4-dimethylphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(3,4-dimethylphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(3,4-dimethylphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8004-1520 |
| Compound Name: | 6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(3,4-dimethylphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C25 H22 N8 O4 |
| Smiles: | Cc1ccc(cc1C)Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(N/N=C\c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4045 |
| logD: | 7.4028 |
| logSw: | -5.8204 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.966 |
| InChI Key: | CPNFYAAENFYQRG-UHFFFAOYSA-N |