N-(3-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
N-(3-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | K667-0119 |
| Compound Name: | N-(3-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(Nc3cccc(c3)[N+]([O-])=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1603 |
| logD: | 3.1597 |
| logSw: | -3.4304 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.693 |
| InChI Key: | NNHCIVAIYQONOK-UHFFFAOYSA-N |