2-(2-bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(2-bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K603-0237 |
Compound Name: | 2-(2-bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 320.18 |
Molecular Formula: | C15 H14 Br N O2 |
Smiles: | Cc1ccc(c(c1)[Br])N1C(C2CC=CCC2C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1694 |
logD: | 3.1694 |
logSw: | -3.2168 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 28.771 |
InChI Key: | TYHOSEJEGQSKFW-UHFFFAOYSA-N |