1-oxo-1-phenylpropan-2-yl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
1-oxo-1-phenylpropan-2-yl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
1-oxo-1-phenylpropan-2-yl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 4483-3236 |
| Compound Name: | 1-oxo-1-phenylpropan-2-yl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C25 H21 N O5 |
| Smiles: | CC(C(c1ccccc1)=O)OC(c1ccc(cc1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9025 |
| logD: | 2.9025 |
| logSw: | -3.2402 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.611 |
| InChI Key: | CLBCBECJYCOTRF-UHFFFAOYSA-N |