4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]phenyl acetate
Chemical Structure Depiction of
4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]phenyl acetate
4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 8008-6058 |
| Compound Name: | 4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]phenyl acetate |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C18 H17 N O4 |
| Smiles: | CC(=O)Oc1ccc(cc1)N1C(C2C(C1=O)[C@@H]1CC[C@H]2C=C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4485 |
| logD: | 1.4485 |
| logSw: | -1.9213 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.744 |
| InChI Key: | NUKVTKVDDZWCBT-UHFFFAOYSA-N |