2-[4-(azocan-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(azocan-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(azocan-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0222 |
| Compound Name: | 2-[4-(azocan-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | C1CCCN(CCC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8058 |
| logD: | 3.8058 |
| logSw: | -4.0694 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.635 |
| InChI Key: | ZAUZYBMTXHYFKV-UHFFFAOYSA-N |