3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0604 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H15 F N2 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.9821 |
| logD: | 4.9821 |
| logSw: | -4.9631 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.905 |
| InChI Key: | NVWAOBLWGUWZFS-UHFFFAOYSA-N |