2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | E210-0023 |
Compound Name: | 2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 408.47 |
Molecular Formula: | C22 H20 N2 O4 S |
Smiles: | CCOc1cccc2C=C(C3NC(c4c5CCC(C)Cc5sc4N=3)=O)C(=O)Oc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2185 |
logD: | 3.5109 |
logSw: | -4.4623 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.53 |
InChI Key: | BTGYIKWAZFTXBZ-LLVKDONJSA-N |