2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0194 |
| Compound Name: | 2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 285.36 |
| Molecular Formula: | C16 H15 N O2 S |
| Smiles: | CSc1ccccc1N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9925 |
| logD: | 1.9925 |
| logSw: | -2.2574 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.4236 |
| InChI Key: | WAEIPFOXHLDQQK-UHFFFAOYSA-N |