2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1885-0361 |
| Compound Name: | 2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 304.77 |
| Molecular Formula: | C16 H17 Cl N2 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NCN1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6973 |
| logD: | 3.6973 |
| logSw: | -3.9777 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.843 |
| InChI Key: | SIJFZMFQCJLPGH-UHFFFAOYSA-N |