methyl 4-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
methyl 4-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 8003-4450 |
| Compound Name: | methyl 4-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C28 H23 N O4 |
| Smiles: | COC(c1ccc(cc1)N1C(C2C(C=CC(C2C1=O)c1ccccc1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5317 |
| logD: | 4.5317 |
| logSw: | -4.546 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.703 |
| InChI Key: | QEDNTYPEHCZCCK-UHFFFAOYSA-N |