2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0481 |
| Compound Name: | 2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C26 H28 N4 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6973 |
| logD: | 4.6973 |
| logSw: | -4.5248 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.263 |
| InChI Key: | XEXARIAEUOAXBK-UHFFFAOYSA-N |