2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3810-0475 |
| Compound Name: | 2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 472.32 |
| Molecular Formula: | C20 H14 Br N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc(c4ccc(cc4[Br])[N+]([O-])=O)o3)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5144 |
| logD: | 5.5095 |
| logSw: | -5.7413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.495 |
| InChI Key: | IVUNLMKNXLSPBT-UHFFFAOYSA-N |