3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0598 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C21 H15 Cl N2 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1771 |
| logD: | 5.1771 |
| logSw: | -5.6463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.905 |
| InChI Key: | UMXYLNITEUSFOX-UHFFFAOYSA-N |