butyl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
butyl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
butyl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0627-0200 |
| Compound Name: | butyl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 402.24 |
| Molecular Formula: | C19 H16 Br N O4 |
| Smiles: | CCCCOC(c1cccc(c1)N1C(c2ccc(cc2C1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2256 |
| logD: | 5.2256 |
| logSw: | -5.0945 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.928 |
| InChI Key: | VLWTVMXVWPFEDF-UHFFFAOYSA-N |