2-[3-nitro-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[3-nitro-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0500 |
| Compound Name: | 2-[3-nitro-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C25 H23 N3 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCC(=CC1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2238 |
| logD: | 4.2238 |
| logSw: | -4.4525 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.033 |
| InChI Key: | VXIXTEHBWBXJDS-UHFFFAOYSA-N |