4-nitro-2-[2-(phenylsulfanyl)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4-nitro-2-[2-(phenylsulfanyl)phenyl]-1H-isoindole-1,3(2H)-dione
4-nitro-2-[2-(phenylsulfanyl)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y501-0771 |
| Compound Name: | 4-nitro-2-[2-(phenylsulfanyl)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C20 H12 N2 O4 S |
| Smiles: | c1ccc(cc1)Sc1ccccc1N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5881 |
| logD: | 3.5881 |
| logSw: | -4.1713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.388 |
| InChI Key: | CJNBVFYTTSUXCE-UHFFFAOYSA-N |