2-{4-[4-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K807-1001 |
Compound Name: | 2-{4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Molecular Weight: | 513.38 |
Molecular Formula: | C25 H22 Cl2 N4 O4 |
Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccc(c(c1)[Cl])[Cl])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3705 |
logD: | 4.3705 |
logSw: | -4.5935 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.217 |
InChI Key: | FTZXRPWOOIHMSC-UHFFFAOYSA-N |