1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(6-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1H-benzimidazol-2-yl)phenyl]methanimine
Chemical Structure Depiction of
1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(6-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1H-benzimidazol-2-yl)phenyl]methanimine
1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(6-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1H-benzimidazol-2-yl)phenyl]methanimine
Compound characteristics
| Compound ID: | 8005-7924 |
| Compound Name: | 1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(6-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1H-benzimidazol-2-yl)phenyl]methanimine |
| Molecular Weight: | 578.5 |
| Molecular Formula: | C29 H18 N6 O8 |
| Smiles: | C1Oc2cc(/C=N/c3ccc(cc3)c3nc4ccc(cc4[nH]3)/N=C/c3cc4c(cc3[N+]([O-])=O)OCO4)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6639 |
| logD: | 5.6635 |
| logSw: | -5.958 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.905 |
| InChI Key: | WRNCNDKXCQOGJE-UHFFFAOYSA-N |