2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl phenylacetate
Chemical Structure Depiction of
2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl phenylacetate
2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl phenylacetate
Compound characteristics
| Compound ID: | 3683-0806 |
| Compound Name: | 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl phenylacetate |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C18 H18 Cl N O4 |
| Smiles: | C1C=C(CC2C1C(N(CCOC(Cc1ccccc1)=O)C2=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3226 |
| logD: | 2.3226 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.115 |
| InChI Key: | XPUWFXJDOMWHCL-UHFFFAOYSA-N |