benzyl {[1-(2H-1,3-benzodioxol-5-yl)-5,5-dioxo-1,3a,4,5,6,6a-hexahydro-5lambda~6~-thieno[3,4-d]imidazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[1-(2H-1,3-benzodioxol-5-yl)-5,5-dioxo-1,3a,4,5,6,6a-hexahydro-5lambda~6~-thieno[3,4-d]imidazol-2-yl]sulfanyl}acetate
benzyl {[1-(2H-1,3-benzodioxol-5-yl)-5,5-dioxo-1,3a,4,5,6,6a-hexahydro-5lambda~6~-thieno[3,4-d]imidazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | IB04-6232 |
| Compound Name: | benzyl {[1-(2H-1,3-benzodioxol-5-yl)-5,5-dioxo-1,3a,4,5,6,6a-hexahydro-5lambda~6~-thieno[3,4-d]imidazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C21 H20 N2 O6 S2 |
| Smiles: | C(c1ccccc1)OC(CSC1=NC2CS(CC2N1c1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.69 |
| logD: | 2.68 |
| logSw: | -3.52 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 204.37 |
| InChI Key: | VPEUQBHPIFIQAY-UHFFFAOYSA-N |