N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | G730-0787 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | C1CCc2nc3cc(ccc3n2CC1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3645 |
| logD: | 3.3623 |
| logSw: | -3.4893 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.3 |
| InChI Key: | DKDPPQAEEUDZKT-UHFFFAOYSA-N |