5-methyl-2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0722 |
| Compound Name: | 5-methyl-2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CC2(C)CC1CC(C)(C)C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2661 |
| logD: | 4.2661 |
| logSw: | -4.5398 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.99 |
| InChI Key: | QNAHMWREMAGCEI-UHFFFAOYSA-N |