3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0992 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 460.93 |
| Molecular Formula: | C21 H14 Cl F N2 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.609 |
| logD: | 5.609 |
| logSw: | -6.0138 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.905 |
| InChI Key: | TZQXEDXUNVWRCI-UHFFFAOYSA-N |