2-{3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0507 |
| Compound Name: | 2-{3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C23 H23 N5 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2069 |
| logD: | 3.2013 |
| logSw: | -3.541 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.076 |
| InChI Key: | SIFSIBAYAFDXME-UHFFFAOYSA-N |