3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0003 |
| Compound Name: | 3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1cccc(c1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3446 |
| logD: | 2.8846 |
| logSw: | -3.7656 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.597 |
| InChI Key: | ZJOUXUIKFKTCMF-UHFFFAOYSA-N |