N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
Formula:C19H14N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide |
| MolecularFormula | C19H14N4O3S |
| Smiles | O=C(CN(C=Nc1c2cc(-c3ccccc3)s1)C2=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H14N4O3S/c24-17(22-21-10-14-7-4-8-26-14)11-23-12-20-18-15(19(23)25)9-16(27-18)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,22,24) |
| InChIK | VBVYWPNLDVGGHC-UHFFFAOYSA-N |
| TotalMolweight | 378.411 |
| Molweight | 378.411 |
| MonoisotopicMass | 378.078661 |
| CLogP | 3.0618 |
| CLogS | -5.548 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.45 |
| Relative PSA | 0.34535 |
| PolarSurfaceArea | 115.51 |
| Druglikeness | 8.1878 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
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