dimethyl 2-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzene-1,4-dicarboxylate
dimethyl 2-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C097-0221 |
| Compound Name: | dimethyl 2-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzene-1,4-dicarboxylate |
| Molecular Weight: | 474.78 |
| Molecular Formula: | C19 H14 Cl F3 N2 O7 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5885 |
| logD: | 3.5157 |
| logSw: | -4.8872 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.283 |
| InChI Key: | SGVCAXQMEDFWOC-IBGZPJMESA-N |