2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0165 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | COc1ccc(CCN2C(C3C4CC(C=C4)C3C2=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6581 |
| logD: | 1.6581 |
| logSw: | -2.057 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.575 |
| InChI Key: | XTYVHQPRDBFNFI-UHFFFAOYSA-N |