heptyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
heptyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
heptyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 8006-3414 |
| Compound Name: | heptyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 444.32 |
| Molecular Formula: | C22 H22 Br N O4 |
| Smiles: | CCCCCCCOC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7736 |
| logD: | 6.7736 |
| logSw: | -5.7069 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.928 |
| InChI Key: | LNBPNFPHPLKJNI-UHFFFAOYSA-N |