2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1473-0146 |
| Compound Name: | 2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C20 H12 N2 O4 S |
| Smiles: | c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8469 |
| logD: | 4.8469 |
| logSw: | -4.9333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.99 |
| InChI Key: | MLFHMOWTIUZJQU-UHFFFAOYSA-N |