N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | E793-1364 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 539.63 |
Molecular Formula: | C26 H25 N3 O6 S2 |
Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCC(Nc2ccc3c(c2)OCCO3)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.9754 |
logD: | 2.9754 |
logSw: | -3.4844 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.001 |
InChI Key: | HXTLBNGLPDDXTH-UHFFFAOYSA-N |