2-{4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0723 |
| Compound Name: | 2-{4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C27 H32 N4 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NC1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2216 |
| logD: | 3.6656 |
| logSw: | -4.1499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.955 |
| InChI Key: | XFKGQACUIQBSCJ-UHFFFAOYSA-N |