methyl 5-bromo-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
methyl 5-bromo-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-carboxylate
methyl 5-bromo-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | 8013-6115 |
| Compound Name: | methyl 5-bromo-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-carboxylate |
| Molecular Weight: | 485.29 |
| Molecular Formula: | C22 H17 Br N2 O6 |
| Smiles: | COC(c1c(c2cc(ccc2o1)[Br])NC(CCCN1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8186 |
| logD: | 2.5622 |
| logSw: | -3.4179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.923 |
| InChI Key: | ZVHSHDWUCJSAFR-UHFFFAOYSA-N |