2-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0109 |
| Compound Name: | 2-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | C1CN(CC=C1c1ccccc1)C(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9405 |
| logD: | 1.9405 |
| logSw: | -2.292 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.457 |
| InChI Key: | BTXJCYPAPYUGFZ-UHFFFAOYSA-N |