2-{4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0339 |
| Compound Name: | 2-{4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 501.37 |
| Molecular Formula: | C24 H22 Cl2 N4 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8224 |
| logD: | 4.8224 |
| logSw: | -5.1047 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.564 |
| InChI Key: | NDPMTMHOEHWZCW-UHFFFAOYSA-N |