N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 8016-8431 |
| Compound Name: | N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 519.4 |
| Molecular Formula: | C26 H23 Br N4 O3 |
| Smiles: | COc1ccc(/C=C(/C(NCCc2nc3ccccc3[nH]2)=O)NC(c2ccc(cc2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5756 |
| logD: | 2.6482 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.243 |
| InChI Key: | KWBLTIJVFSETBI-UHFFFAOYSA-N |