methyl 2-{2-[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
Compound ID: | F847-0179 |
Compound Name: | methyl 2-{2-[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
Molecular Weight: | 479.58 |
Molecular Formula: | C24 H21 N3 O4 S2 |
Smiles: | CCN1C(=Nc2c(csc2C1=O)c1ccccc1)SCC(Nc1ccccc1C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.4751 |
logD: | 4.4668 |
logSw: | -4.3956 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.887 |
InChI Key: | IYTXCOVMKXWXTC-UHFFFAOYSA-N |