2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-8830 |
| Compound Name: | 2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C26 H24 N4 O4 S2 |
| Smiles: | CCC1CCc2c3C(N(C(=Nc3sc2C1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.948 |
| logD: | 5.9476 |
| logSw: | -5.6148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.513 |
| InChI Key: | DUVAEBKYQUAELV-MRXNPFEDSA-N |