rel-(4R,7R)-2-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7R)-2-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7R)-2-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D027-0017 |
| Compound Name: | rel-(4R,7R)-2-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | C(C(C(N1CCOCC1)=O)N1C(C2C(C1=O)[C@@H]1C[C@@H]2C=C1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3615 |
| logD: | 1.3615 |
| logSw: | -1.5022 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.818 |
| InChI Key: | RPAUZIPJAFTKEN-UHFFFAOYSA-N |