2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1132 |
| Compound Name: | 2-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C21 H24 N4 O5 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)CCO)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8119 |
| logD: | 0.6936 |
| logSw: | -1.7334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.403 |
| InChI Key: | NUOQMNAJFBBFOJ-UHFFFAOYSA-N |