methyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
methyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C795-0343 |
| Compound Name: | methyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate |
| Molecular Weight: | 400.79 |
| Molecular Formula: | C20 H14 Cl F N2 O4 |
| Smiles: | COC(c1cc2c(c3ccccc3o2)n1CC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7784 |
| logD: | 4.756 |
| logSw: | -4.9419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.978 |
| InChI Key: | QURUHIGGBAPKIX-UHFFFAOYSA-N |