N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | G730-0874 |
| Compound Name: | N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 398.3 |
| Molecular Formula: | C20 H20 Br N3 O |
| Smiles: | C1CCc2nc3cc(ccc3n2CC1)C(NCc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3234 |
| logD: | 4.3212 |
| logSw: | -4.26 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.184 |
| InChI Key: | XPVHZIGOJZRGER-UHFFFAOYSA-N |