2-{1-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-{1-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate
2-{1-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 2228-0274 |
| Compound Name: | 2-{1-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate |
| Molecular Weight: | 576.61 |
| Molecular Formula: | C33 H28 N4 O6 |
| Smiles: | CC(C)(C)c1ccc(Cn2c3ccccc3nc2\C=C(/c2ccc(cc2)[N+]([O-])=O)OC(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.7243 |
| logD: | 8.7243 |
| logSw: | -5.8862 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.323 |
| InChI Key: | XIFQDWOKXRLYLT-UHFFFAOYSA-N |