2-{4-chloro-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-chloro-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-chloro-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K655-0274 |
Compound Name: | 2-{4-chloro-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Molecular Weight: | 492.02 |
Molecular Formula: | C28 H30 Cl N3 O3 |
Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1cc(ccc1[Cl])N1C(C2C3CCC(C3)C2C1=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.8305 |
logD: | 3.8305 |
logSw: | -4.2961 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.852 |
InChI Key: | HEINIFQWLVMYAN-UHFFFAOYSA-N |