2-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0527 |
| Compound Name: | 2-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C23 H22 N4 O6 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)C(c1ccco1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1122 |
| logD: | 2.1122 |
| logSw: | -2.8241 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.339 |
| InChI Key: | FIGMEAJXAVHACO-UHFFFAOYSA-N |