methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]carbamoyl}benzoate
methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 0812-1035 |
| Compound Name: | methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C23 H16 N2 O5 |
| Smiles: | COC(c1ccc(cc1)C(Nc1ccc(cc1)N1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5935 |
| logD: | 3.5934 |
| logSw: | -3.7723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.145 |
| InChI Key: | CKKGTOARSCWVNE-UHFFFAOYSA-N |