2-[4-(2-hydroxyethanesulfonyl)phenyl]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(2-hydroxyethanesulfonyl)phenyl]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[4-(2-hydroxyethanesulfonyl)phenyl]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8003-7246 |
| Compound Name: | 2-[4-(2-hydroxyethanesulfonyl)phenyl]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 471.4 |
| Molecular Formula: | C20 H13 N3 O9 S |
| Smiles: | C(CS(c1ccc(cc1)N1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)(=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.2729 |
| logD: | 1.2729 |
| logSw: | -2.4539 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.095 |
| InChI Key: | SIKDGDDWECMNFT-UHFFFAOYSA-N |