2-(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0787 |
| Compound Name: | 2-(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 573.09 |
| Molecular Formula: | C32 H33 Cl N4 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)C(c1ccccc1)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1932 |
| logD: | 6.1908 |
| logSw: | -6.3161 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.866 |
| InChI Key: | LYUCMUZNHRLIFG-UHFFFAOYSA-N |