N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1539 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C20 H18 F3 N3 O3 |
| Smiles: | C1COc2ccc(CNC(Cn3c4ccccc4nc3C(F)(F)F)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0978 |
| logD: | 3.0978 |
| logSw: | -3.1565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.793 |
| InChI Key: | XHXXCAXQFMAWIE-UHFFFAOYSA-N |