3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | D390-0835 |
Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 376.43 |
Molecular Formula: | C21 H16 N2 O3 S |
Smiles: | Cc1ccc(cc1)c1csc2c1C(N(Cc1ccc3c(c1)OCO3)C=N2)=O |
Stereo: | ACHIRAL |
logP: | 4.151 |
logD: | 4.151 |
logSw: | -4.4051 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 43.085 |
InChI Key: | PFCKTQIYETUZNT-UHFFFAOYSA-N |