3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0002 |
| Compound Name: | 3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C19 H12 N4 O4 S |
| Smiles: | C(\c1cccc(c1O)[N+]([O-])=O)=N/N1C=Nc2c(C1=O)c(cs2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7667 |
| logD: | 3.3066 |
| logSw: | -4.1973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.405 |
| InChI Key: | PKPPLYJNHZTNAX-UHFFFAOYSA-N |