2-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0100 |
| Compound Name: | 2-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1cccc(c1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4141 |
| logD: | 2.4141 |
| logSw: | -2.7482 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.035 |
| InChI Key: | UQVCTDVGFBBZDU-UHFFFAOYSA-N |