N-(2-methoxy-5-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
N-(2-methoxy-5-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | K840-0016 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1NC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6841 |
| logD: | 2.6696 |
| logSw: | -3.0917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.625 |
| InChI Key: | KRTHQFAEQWEDFQ-UHFFFAOYSA-N |