3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenyl acetate
Chemical Structure Depiction of
3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenyl acetate
3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 1188-0576 |
| Compound Name: | 3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenyl acetate |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | CC1C[C@H]2C(N(C([C@H]2CC=1)=O)c1cccc(c1)OC(C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.1216 |
| logD: | 2.1216 |
| logSw: | -3.009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.823 |
| InChI Key: | ZMHGJCYAZDXVHN-UHFFFAOYSA-N |