2-[(2,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(2,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[(2,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2054-0560 |
| Compound Name: | 2-[(2,4-dimethylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 284.36 |
| Molecular Formula: | C17 H20 N2 O2 |
| Smiles: | Cc1ccc(c(C)c1)NCN1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1757 |
| logD: | 3.1757 |
| logSw: | -3.1157 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.145 |
| InChI Key: | BLZYDCFPFDHRHG-UHFFFAOYSA-N |