2-{4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1045 |
| Compound Name: | 2-{4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C25 H23 Cl N4 O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.762 |
| logD: | 3.762 |
| logSw: | -4.1392 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.916 |
| InChI Key: | PSCYDEMHKDNHIV-UHFFFAOYSA-N |