4-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl acetate
Chemical Structure Depiction of
4-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl acetate
4-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 3773-4223 |
| Compound Name: | 4-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl acetate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | CC1CC2C(CC=1C)C(N(C2=O)c1ccc(cc1)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7398 |
| logD: | 1.7398 |
| logSw: | -2.6021 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.823 |
| InChI Key: | LXECMFOWRUUXAV-UHFFFAOYSA-N |