5-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
Formula:C18H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 5-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C18H12N4OS |
| Smiles | O=C(c1c(N=C2)scc1-c1ccccc1)N2/N=C\c1cnccc1 |
| InChI | InChI=1S/C18H12N4OS/c23-18-16-15(14-6-2-1-3-7-14)11-24-17(16)20-12-22(18)21-10-13-5-4-8-19-9-13/h1-12H |
| InChIK | QZVCLSPJXBGLBB-UHFFFAOYSA-N |
| TotalMolweight | 332.386 |
| Molweight | 332.386 |
| MonoisotopicMass | 332.073181 |
| CLogP | 3.1043 |
| CLogS | -5.14 |
| H Acceptors | 5 |
| TotalSurfaceArea | 251.55 |
| Relative PSA | 0.28201 |
| PolarSurfaceArea | 86.16 |
| Druglikeness | 5.7363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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