4-[rel-(4R,7S)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]phenyl acetate
Chemical Structure Depiction of
4-[rel-(4R,7S)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]phenyl acetate
4-[rel-(4R,7S)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 4483-2501 |
| Compound Name: | 4-[rel-(4R,7S)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]phenyl acetate |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | CC(=O)Oc1ccc(cc1)N1C(C2C(C1=O)[C@@H]1CC[C@H]2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1194 |
| logD: | 1.1194 |
| logSw: | -1.9459 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.476 |
| InChI Key: | KRFWKEVPTNJISM-UHFFFAOYSA-N |