N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
Formula:C25H18N4O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide |
| MolecularFormula | C25H18N4O2S |
| Smiles | O=C(CN(C=Nc1c2cc(-c3ccccc3)s1)C2=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C25H18N4O2S/c30-23(28-27-14-19-11-6-10-17-7-4-5-12-20(17)19)15-29-16-26-24-21(25(29)31)13-22(32-24)18-8-2-1-3-9-18/h1-14,16H,15H2,(H,28,30) |
| InChIK | UFYNKNRPAKNLQQ-UHFFFAOYSA-N |
| TotalMolweight | 438.51 |
| Molweight | 438.51 |
| MonoisotopicMass | 438.115046 |
| CLogP | 5.0675 |
| CLogS | -7.472 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.36 |
| Relative PSA | 0.25569 |
| PolarSurfaceArea | 102.37 |
| Druglikeness | 8.5595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
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