5-methyl-2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0925 |
| Compound Name: | 5-methyl-2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C26 H28 N4 O5 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3574 |
| logD: | 3.3574 |
| logSw: | -3.5777 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.003 |
| InChI Key: | YYBKMYOSBZRISX-UHFFFAOYSA-N |