2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0067 |
| Compound Name: | 2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Smiles: | C1C2C=CC1C1C2C(N(CC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0559 |
| logD: | 1.0559 |
| logSw: | -2.1834 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.37 |
| InChI Key: | FCQAGYYHYDSCFK-UHFFFAOYSA-N |