1-(azepan-1-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one
1-(azepan-1-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D622-0055 |
| Compound Name: | 1-(azepan-1-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one |
| Molecular Weight: | 383.37 |
| Molecular Formula: | C18 H20 F3 N3 O3 |
| Smiles: | C1CCCN(CC1)C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2362 |
| logD: | 2.236 |
| logSw: | -2.5099 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.714 |
| InChI Key: | CKSIAZOTXFPTAE-UHFFFAOYSA-N |