4-[2-(5-{4-[5-(4-carboxybenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoyl}-2-chlorophenyl)-1,3-dioxo-1,3-dihydro-2H-isoindole-5-carbonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(5-{4-[5-(4-carboxybenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoyl}-2-chlorophenyl)-1,3-dioxo-1,3-dihydro-2H-isoindole-5-carbonyl]benzoic acid
4-[2-(5-{4-[5-(4-carboxybenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoyl}-2-chlorophenyl)-1,3-dioxo-1,3-dihydro-2H-isoindole-5-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | 8003-0289 |
| Compound Name: | 4-[2-(5-{4-[5-(4-carboxybenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoyl}-2-chlorophenyl)-1,3-dioxo-1,3-dihydro-2H-isoindole-5-carbonyl]benzoic acid |
| Molecular Weight: | 803.14 |
| Molecular Formula: | C45 H23 Cl N2 O11 |
| Smiles: | c1cc(ccc1C(O)=O)C(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)C(c1ccc(c(c1)N1C(c2ccc(cc2C1=O)C(c1ccc(cc1)C(O)=O)=O)=O)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9381 |
| logD: | 4.3313 |
| logSw: | -6.3551 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 154.438 |
| InChI Key: | HBBCPOIYSIGCFZ-UHFFFAOYSA-N |