5-methyl-2-[(4-methylanilino)methyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-[(4-methylanilino)methyl]hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-[(4-methylanilino)methyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4483-2834 |
| Compound Name: | 5-methyl-2-[(4-methylanilino)methyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C17 H22 N2 O2 |
| Smiles: | CC1CCC2C(C1)C(N(CNc1ccc(C)cc1)C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2964 |
| logD: | 3.2964 |
| logSw: | -3.4801 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.843 |
| InChI Key: | KZSCJDOWOFQAAA-UHFFFAOYSA-N |