2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0139 |
| Compound Name: | 2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C20 H26 N4 O5 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)CCO)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1737 |
| logD: | 1.0555 |
| logSw: | -2.3209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.75 |
| InChI Key: | KFENMZBIMUWUHH-UHFFFAOYSA-N |