heptyl 4-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
heptyl 4-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
heptyl 4-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8003-0956 |
| Compound Name: | heptyl 4-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 473.37 |
| Molecular Formula: | C23 H25 Br N2 O4 |
| Smiles: | CCCCCCCOC(c1ccc(cc1)NCN1C(c2ccc(cc2C1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8424 |
| logD: | 6.8424 |
| logSw: | -5.6851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | ALZCBDPDLSWSKG-UHFFFAOYSA-N |