5-(4-chlorophenyl)-3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}thieno[2,3-d]pyrimidin-4(3H)-one
5-(4-chlorophenyl)-3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0004 |
| Compound Name: | 5-(4-chlorophenyl)-3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 426.84 |
| Molecular Formula: | C19 H11 Cl N4 O4 S |
| Smiles: | C(\c1cccc(c1O)[N+]([O-])=O)=N/N1C=Nc2c(C1=O)c(cs2)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4664 |
| logD: | 4.0064 |
| logSw: | -4.8269 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.405 |
| InChI Key: | UVEQNCCOIUYCOC-UHFFFAOYSA-N |