2-[(3-chloro-4-methylanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-chloro-4-methylanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-[(3-chloro-4-methylanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4483-2837 |
| Compound Name: | 2-[(3-chloro-4-methylanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 320.82 |
| Molecular Formula: | C17 H21 Cl N2 O2 |
| Smiles: | CC1CCC2C(C1)C(N(CNc1ccc(C)c(c1)[Cl])C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1356 |
| logD: | 4.1356 |
| logSw: | -4.3782 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.843 |
| InChI Key: | IOVOCCINDAIIPM-UHFFFAOYSA-N |