methyl 7-chloro-2-{[3-fluoro-5-(trifluoromethyl)benzamido]methyl}-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 7-chloro-2-{[3-fluoro-5-(trifluoromethyl)benzamido]methyl}-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 7-chloro-2-{[3-fluoro-5-(trifluoromethyl)benzamido]methyl}-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | V006-0216 |
| Compound Name: | methyl 7-chloro-2-{[3-fluoro-5-(trifluoromethyl)benzamido]methyl}-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 431.77 |
| Molecular Formula: | C19 H14 Cl F4 N O4 |
| Smiles: | COC(c1cc2CC(CNC(c3cc(cc(c3)F)C(F)(F)F)=O)Oc2c(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5993 |
| logD: | 4.5993 |
| logSw: | -4.6486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.106 |
| InChI Key: | WMPBLRJOXNUMTL-CQSZACIVSA-N |