ethyl 4-{acetyl[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{acetyl[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
ethyl 4-{acetyl[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 3043-0006 |
| Compound Name: | ethyl 4-{acetyl[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C20 H17 Br N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)N(CN1C(c2ccc(cc2C1=O)[Br])=O)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0306 |
| logD: | 4.0306 |
| logSw: | -4.1393 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.029 |
| InChI Key: | GXQKRPIPVCDODW-UHFFFAOYSA-N |