N~2~-methyl-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~4~-phenyl-1,3,5-triazine-2,4-diamine--acetic acid (1/1)
Chemical Structure Depiction of
N~2~-methyl-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~4~-phenyl-1,3,5-triazine-2,4-diamine--acetic acid (1/1)
N~2~-methyl-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~4~-phenyl-1,3,5-triazine-2,4-diamine--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8007-7741 |
| Compound Name: | N~2~-methyl-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~4~-phenyl-1,3,5-triazine-2,4-diamine--acetic acid (1/1) |
| Molecular Weight: | 468.43 |
| Molecular Formula: | C18 H16 N8 O4 |
| Salt: | CH3COOH |
| Smiles: | CNc1nc(Nc2ccccc2)nc(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3049 |
| logD: | 4.3046 |
| logSw: | -4.3766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.409 |
| InChI Key: | JOEYRLMLMNWHKE-AWQFTUOYSA-N |