5-chloro-2-[(2-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-chloro-2-[(2-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5-chloro-2-[(2-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 2765-0300 |
Compound Name: | 5-chloro-2-[(2-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: | Cc1ccccc1NCN1C(C2CC=C(CC2C1=O)[Cl])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.6861 |
logD: | 2.6861 |
logSw: | -3.3824 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.145 |
InChI Key: | YQPFKHWXSHHUGF-UHFFFAOYSA-N |