N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2-methylpropanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2-methylpropanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2-methylpropanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide
Compound characteristics
| Compound ID: | P035-0534 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2-methylpropanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C21 H21 N5 O4 |
| Smiles: | CC(C)C(Nc1ccc(nc1)n1cc(C(NCc2ccc3c(c2)OCO3)=O)nc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.934 |
| logD: | 2.9338 |
| logSw: | -3.2762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.969 |
| InChI Key: | CHRCZBJZLPDDDK-UHFFFAOYSA-N |