2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0980 |
| Compound Name: | 2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 496.99 |
| Molecular Formula: | C26 H29 Cl N4 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)Cc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2534 |
| logD: | 4.2305 |
| logSw: | -4.5701 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.845 |
| InChI Key: | PALKZRJFAHLFAX-UHFFFAOYSA-N |