N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide
Compound characteristics
| Compound ID: | F972-0045 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | CCC(Nc1ccc(CCc2nc3cc(ccc3[nH]2)C(NCc2ccc3c(c2)OCO3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.249 |
| logD: | 4.2443 |
| logSw: | -4.2914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.927 |
| InChI Key: | PEJFTBLTHPHKIV-UHFFFAOYSA-N |