propyl 4-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoate
Chemical Structure Depiction of
propyl 4-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoate
propyl 4-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 1885-0240 |
| Compound Name: | propyl 4-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | CCCOC(c1ccc(cc1)N1C([C@H]2CC=CC[C@H]2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1677 |
| logD: | 3.1677 |
| logSw: | -3.098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.12 |
| InChI Key: | FDCRBUWICNYPPL-GJZGRUSLSA-N |