5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3888-1237 |
| Compound Name: | 5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 301.41 |
| Molecular Formula: | C17 H19 N O2 S |
| Smiles: | CC1CC2C(CC=1C)C(N(C2=O)c1ccccc1SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6504 |
| logD: | 2.6504 |
| logSw: | -3.1387 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.771 |
| InChI Key: | SMKCSAZTWGTXAA-UHFFFAOYSA-N |