pentyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
pentyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
pentyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 3285-2575 |
| Compound Name: | pentyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C21 H23 N O4 |
| Smiles: | CCCCCOC(c1ccc(cc1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7389 |
| logD: | 3.7389 |
| logSw: | -3.9078 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.772 |
| InChI Key: | FXSBFPIWUAJKCX-UHFFFAOYSA-N |