N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-1-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-1-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-1-yl}propanamide
Compound characteristics
| Compound ID: | V003-5376 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-1-yl}propanamide |
| Molecular Weight: | 482.37 |
| Molecular Formula: | C25 H21 Cl2 N3 O3 |
| Salt: | not_available |
| Smiles: | C(Cn1c2ccccc2nc1Cc1ccc(c(c1)[Cl])[Cl])C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6456 |
| logD: | 5.6445 |
| logSw: | -6.0114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.437 |
| InChI Key: | KUWKVHNCPVXJGI-UHFFFAOYSA-N |