dimethyl 2,6-diamino-4-[3-(trifluoromethyl)phenyl]benzo[1,2-b:4,5-b']difuran-3,7-dicarboxylate
Chemical Structure Depiction of
dimethyl 2,6-diamino-4-[3-(trifluoromethyl)phenyl]benzo[1,2-b:4,5-b']difuran-3,7-dicarboxylate
dimethyl 2,6-diamino-4-[3-(trifluoromethyl)phenyl]benzo[1,2-b:4,5-b']difuran-3,7-dicarboxylate
Compound characteristics
| Compound ID: | 8013-1551 |
| Compound Name: | dimethyl 2,6-diamino-4-[3-(trifluoromethyl)phenyl]benzo[1,2-b:4,5-b']difuran-3,7-dicarboxylate |
| Molecular Weight: | 448.35 |
| Molecular Formula: | C21 H15 F3 N2 O6 |
| Smiles: | COC(c1c2cc3c(c(C(=O)OC)c(N)o3)c(c3cccc(c3)C(F)(F)F)c2oc1N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3749 |
| logD: | 3.3749 |
| logSw: | -3.9563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.191 |
| InChI Key: | OQKRLADFABCOQA-UHFFFAOYSA-N |