2-[4-(pentyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(pentyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-[4-(pentyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 3406-0076 |
Compound Name: | 2-[4-(pentyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
Molecular Weight: | 339.43 |
Molecular Formula: | C21 H25 N O3 |
Smiles: | CCCCCOc1ccc(cc1)N1C(C2C3CCC(C=C3)C2C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.9517 |
logD: | 3.9517 |
logSw: | -3.9413 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 36.41 |
InChI Key: | AYBKONWHYJQPOG-UHFFFAOYSA-N |