4-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile
Formula:C20H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile |
| MolecularFormula | C20H12N4OS |
| Smiles | N#Cc1ccc(/C=N\N(C=Nc2c3c(-c4ccccc4)cs2)C3=O)cc1 |
| InChI | InChI=1S/C20H12N4OS/c21-10-14-6-8-15(9-7-14)11-23-24-13-22-19-18(20(24)25)17(12-26-19)16-4-2-1-3-5-16/h1-9,11-13H |
| InChIK | ZRXURMZUCMGEJQ-UHFFFAOYSA-N |
| TotalMolweight | 356.408 |
| Molweight | 356.408 |
| MonoisotopicMass | 356.073181 |
| CLogP | 3.9408 |
| CLogS | -6.708 |
| H Acceptors | 5 |
| TotalSurfaceArea | 274.5 |
| Relative PSA | 0.26787 |
| PolarSurfaceArea | 97.06 |
| Druglikeness | 1.4563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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