3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1115 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C22 H18 N2 O3 S2 |
| Smiles: | Cc1cccc(CSC2=Nc3ccsc3C(N2Cc2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5065 |
| logD: | 5.5065 |
| logSw: | -5.3701 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.905 |
| InChI Key: | RWDLOXNHFKDJHW-UHFFFAOYSA-N |