2-[(4-methylphenyl)methyl]-4,8a-dinitrooctahydro-8,4-(epiminomethano)isoquinoline-6,10(2H)-dione
Chemical Structure Depiction of
2-[(4-methylphenyl)methyl]-4,8a-dinitrooctahydro-8,4-(epiminomethano)isoquinoline-6,10(2H)-dione
2-[(4-methylphenyl)methyl]-4,8a-dinitrooctahydro-8,4-(epiminomethano)isoquinoline-6,10(2H)-dione
Compound characteristics
| Compound ID: | S400-0013 |
| Compound Name: | 2-[(4-methylphenyl)methyl]-4,8a-dinitrooctahydro-8,4-(epiminomethano)isoquinoline-6,10(2H)-dione |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C18 H20 N4 O6 |
| Smiles: | Cc1ccc(CN2CC3(C4CC(CC3NC(C4(C2)[N+]([O-])=O)=O)=O)[N+]([O-])=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9718 |
| logD: | 0.9716 |
| logSw: | -2.2016 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.537 |
| InChI Key: | GSFRPCUJCYNTOC-UHFFFAOYSA-N |