2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide
2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | C688-1122 |
Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide |
Molecular Weight: | 471.53 |
Molecular Formula: | C26 H21 N3 O4 S |
Smiles: | COc1ccc(cc1)NC(CN1C(N(Cc2ccccc2)C(c2c1c1ccccc1s2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1871 |
logD: | 5.1871 |
logSw: | -5.1967 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.864 |
InChI Key: | YCCQLUVXAJZXKH-UHFFFAOYSA-N |