N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8016-8425 |
| Compound Name: | N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C26 H23 N5 O5 |
| Smiles: | COc1ccc(/C=C(/C(NCCc2nc3ccccc3[nH]2)=O)NC(c2cccc(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6876 |
| logD: | 1.5635 |
| logSw: | -4.1867 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.625 |
| InChI Key: | HUALDWCQFHKACY-UHFFFAOYSA-N |