3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1117 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C22 H15 N3 O6 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5661 |
| logD: | 4.5661 |
| logSw: | -4.578 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.533 |
| InChI Key: | LNTYEBHBNREEKK-UHFFFAOYSA-N |