2-(4-{[3-(diethylamino)propyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[3-(diethylamino)propyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{[3-(diethylamino)propyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1124 |
| Compound Name: | 2-(4-{[3-(diethylamino)propyl]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: | CCN(CC)CCCNc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.491 |
| logD: | 0.3995 |
| logSw: | -2.8463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.866 |
| InChI Key: | NHZXLOJPLIXRLT-UHFFFAOYSA-N |