2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C23H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C23H18N4O2S |
| Smiles | O=C(CN(C=Nc1c2cc(-c3ccccc3)s1)C2=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C23H18N4O2S/c28-21(26-25-13-7-10-17-8-3-1-4-9-17)15-27-16-24-22-19(23(27)29)14-20(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,26,28) |
| InChIK | SZPQYUFVARALBO-UHFFFAOYSA-N |
| TotalMolweight | 414.488 |
| Molweight | 414.488 |
| MonoisotopicMass | 414.115046 |
| CLogP | 3.8914 |
| CLogS | -6.158 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.26 |
| Relative PSA | 0.26212 |
| PolarSurfaceArea | 102.37 |
| Druglikeness | 8.5607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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