ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoate
Chemical Structure Depiction of
ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoate
ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoate
Compound characteristics
| Compound ID: | 3966-0153 |
| Compound Name: | ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoate |
| Molecular Weight: | 327.81 |
| Molecular Formula: | C16 H22 Cl N O4 |
| Smiles: | CCCCC(C(=O)OCC)N1C(C2CC=C(CC2C1=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0536 |
| logD: | 3.0536 |
| logSw: | -3.3849 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.634 |
| InChI Key: | YNZXBFRRCCUBNM-UHFFFAOYSA-N |