ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-3-phenylpropanoate
Chemical Structure Depiction of
ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-3-phenylpropanoate
ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-3-phenylpropanoate
Compound characteristics
Compound ID: | 3966-0154 |
Compound Name: | ethyl 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-3-phenylpropanoate |
Molecular Weight: | 361.82 |
Molecular Formula: | C19 H20 Cl N O4 |
Smiles: | CCOC(C(Cc1ccccc1)N1C(C2CC=C(CC2C1=O)[Cl])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.2671 |
logD: | 3.2671 |
logSw: | -3.42 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.362 |
InChI Key: | GLROTKJDQOLWIP-UHFFFAOYSA-N |