2-[(3-chloroanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-chloroanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-[(3-chloroanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 3285-2558 |
Compound Name: | 2-[(3-chloroanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 306.79 |
Molecular Formula: | C16 H19 Cl N2 O2 |
Smiles: | CC1CCC2C(C1)C(N(CNc1cccc(c1)[Cl])C2=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.499 |
logD: | 3.499 |
logSw: | -3.6867 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.843 |
InChI Key: | GHTCTQKZYZCPNA-UHFFFAOYSA-N |