methyl 4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate
methyl 4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 2054-0566 |
| Compound Name: | methyl 4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C17 H18 N2 O4 |
| Smiles: | COC(c1ccc(cc1)NCN1C(C2CC=CCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5254 |
| logD: | 2.5254 |
| logSw: | -2.8627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.017 |
| InChI Key: | ZIFIQHUSOBRSCV-UHFFFAOYSA-N |