2-[(3,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[(3,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2054-0543 |
| Compound Name: | 2-[(3,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 296.37 |
| Molecular Formula: | C18 H20 N2 O2 |
| Smiles: | Cc1ccc(cc1C)NCN1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7589 |
| logD: | 2.7589 |
| logSw: | -3.0356 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.496 |
| InChI Key: | GXUBUQLTJDPPKP-UHFFFAOYSA-N |