ethyl 4-{2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]acetamido}benzoate
ethyl 4-{2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | D622-0080 |
| Compound Name: | ethyl 4-{2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 449.38 |
| Molecular Formula: | C21 H18 F3 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3717 |
| logD: | 3.3714 |
| logSw: | -3.6123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.893 |
| InChI Key: | NYONOLGSQLGKHZ-UHFFFAOYSA-N |