methyl 4-{5-chloro-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-{5-chloro-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate
methyl 4-{5-chloro-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | 8014-9124 |
| Compound Name: | methyl 4-{5-chloro-3-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate |
| Molecular Weight: | 496.9 |
| Molecular Formula: | C25 H21 Cl N2 O7 |
| Smiles: | COC(CCC(c1c(c2cc(ccc2o1)[Cl])NC(CCCN1C(c2ccccc2C1=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8139 |
| logD: | 2.3325 |
| logSw: | -3.7085 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.575 |
| InChI Key: | FNGXKNIONZINKA-UHFFFAOYSA-N |