N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide
Chemical Structure Depiction of
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-2009 |
| Compound Name: | N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetamide |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H20 F3 N3 O3 |
| Smiles: | Cc1cc2c(cc1CNC(Cn1c3ccccc3nc1C(F)(F)F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.4171 |
| logD: | 3.4171 |
| logSw: | -3.6105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.793 |
| InChI Key: | WGAKUIIHRFXQBM-UHFFFAOYSA-N |