2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0736 |
| Compound Name: | 2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C22 H32 N4 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCC(C)(C)CN(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0035 |
| logD: | 1.1795 |
| logSw: | -3.4351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.848 |
| InChI Key: | QSDSJGVHCUGLDK-UHFFFAOYSA-N |