rel-(4R,7S)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0199 |
| Compound Name: | rel-(4R,7S)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 283.32 |
| Molecular Formula: | C17 H17 N O3 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9716 |
| logD: | 1.9716 |
| logSw: | -2.3379 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.848 |
| InChI Key: | ARBJHLNLBFLVLV-UHFFFAOYSA-N |