N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
Chemical Structure Depiction of
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
Compound characteristics
| Compound ID: | 8015-6831 |
| Compound Name: | N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide |
| Molecular Weight: | 523.37 |
| Molecular Formula: | C26 H20 Cl2 N4 O4 |
| Smiles: | C(CNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(cc1[Cl])[Cl])=O)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.8315 |
| logD: | 2.2727 |
| logSw: | -5.143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.815 |
| InChI Key: | LLWHYTJSWHHFHS-UHFFFAOYSA-N |