2-(4-{benzyl[2-(dimethylamino)ethyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{benzyl[2-(dimethylamino)ethyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{benzyl[2-(dimethylamino)ethyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0160 |
| Compound Name: | 2-(4-{benzyl[2-(dimethylamino)ethyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C25 H30 N4 O4 |
| Smiles: | CN(C)CCN(Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1776 |
| logD: | 2.6276 |
| logSw: | -3.4584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.711 |
| InChI Key: | QQPPRBXHGATKNV-UHFFFAOYSA-N |