2-[4-(azepan-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[4-(azepan-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0469 |
| Compound Name: | 2-[4-(azepan-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3999 |
| logD: | 3.3999 |
| logSw: | -3.7912 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.635 |
| InChI Key: | QSVIAAZNJWCSNY-UHFFFAOYSA-N |