4-{[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]methyl}benzonitrile
4-{[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D622-0101 |
| Compound Name: | 4-{[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]methyl}benzonitrile |
| Molecular Weight: | 359.31 |
| Molecular Formula: | C18 H12 F3 N3 O2 |
| Smiles: | C(c1ccc(C#N)cc1)n1c2cc3c(cc2nc1C(F)(F)F)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 2.8375 |
| logD: | 2.8375 |
| logSw: | -3.121 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.046 |
| InChI Key: | OPRTZPSNJSRUST-UHFFFAOYSA-N |