methyl 4-methoxy-3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzoate
methyl 4-methoxy-3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzoate
Compound characteristics
| Compound ID: | C200-4518 |
| Compound Name: | methyl 4-methoxy-3-{[rel-(3aR,6aS)-3-[3-(methylsulfanyl)phenyl]-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzoate |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C22 H24 N2 O6 S2 |
| Smiles: | COC(c1ccc(c(CN2C(N(c3cccc(c3)SC)[C@H]3CS(C[C@@H]23)(=O)=O)=O)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6643 |
| logD: | 2.6643 |
| logSw: | -3.0635 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.377 |
| InChI Key: | YARMSWDCYNBBJD-UHFFFAOYSA-N |