2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0804 |
| Compound Name: | 2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C26 H30 N4 O5 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0857 |
| logD: | 4.0856 |
| logSw: | -4.3971 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.108 |
| InChI Key: | IJUOBQNTOKTRMP-UHFFFAOYSA-N |