benzyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
benzyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
benzyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 4386-0331 |
| Compound Name: | benzyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C23 H19 N O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(cc1)C(=O)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2778 |
| logD: | 3.2778 |
| logSw: | -3.4237 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.582 |
| InChI Key: | LLCTUYDFZVLLHT-UHFFFAOYSA-N |