2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1067 |
| Compound Name: | 2-(4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CC(C)(CNc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)CN(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1133 |
| logD: | 0.2892 |
| logSw: | -2.901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.501 |
| InChI Key: | QBSBPPYOUGAXME-UHFFFAOYSA-N |