3-[(Z)-benzylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
Formula:C19H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-benzylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C19H13N3OS |
| Smiles | O=C(c1c(N=C2)sc(-c3ccccc3)c1)N2/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H13N3OS/c23-19-16-11-17(15-9-5-2-6-10-15)24-18(16)20-13-22(19)21-12-14-7-3-1-4-8-14/h1-13H |
| InChIK | VVRQQQUQNHDEIJ-UHFFFAOYSA-N |
| TotalMolweight | 331.398 |
| Molweight | 331.398 |
| MonoisotopicMass | 331.077932 |
| CLogP | 4.3443 |
| CLogS | -5.956 |
| H Acceptors | 4 |
| TotalSurfaceArea | 252.79 |
| Relative PSA | 0.23723 |
| PolarSurfaceArea | 73.27 |
| Druglikeness | 6.2569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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