3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile
3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C200-4655 |
| Compound Name: | 3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(Cc2cccc(C#N)c2)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8749 |
| logD: | 1.8749 |
| logSw: | -2.4487 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.629 |
| InChI Key: | VTGZWGYXDOGGLQ-UHFFFAOYSA-N |