{2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl}methylene diacetate
Chemical Structure Depiction of
{2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl}methylene diacetate
{2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl}methylene diacetate
Compound characteristics
| Compound ID: | 3970-0967 |
| Compound Name: | {2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl}methylene diacetate |
| Molecular Weight: | 473.79 |
| Molecular Formula: | C20 H15 Cl F3 N O7 |
| Smiles: | CC(=O)OC(C12C=CC(C3C1C(N(C3=O)c1cc(ccc1[Cl])C(F)(F)F)=O)O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1038 |
| logD: | 2.1038 |
| logSw: | -3.1043 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.568 |
| InChI Key: | DIPYURAAKXFSKI-UHFFFAOYSA-N |