4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-(4-phenoxyphenyl)butanamide
Chemical Structure Depiction of
4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-(4-phenoxyphenyl)butanamide
4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-(4-phenoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C046-0157 |
| Compound Name: | 4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-(4-phenoxyphenyl)butanamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(Nc3ccc(cc3)Oc3ccccc3)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.662 |
| logD: | 3.662 |
| logSw: | -4.258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.372 |
| InChI Key: | MOPCFHKOGCPDCX-UHFFFAOYSA-N |