2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C19H14N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H14N4O2S2 |
| Smiles | O=C(CN(C=Nc1c2c(-c3ccccc3)cs1)C2=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C19H14N4O2S2/c24-16(22-21-9-14-7-4-8-26-14)10-23-12-20-18-17(19(23)25)15(11-27-18)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,22,24) |
| InChIK | GFIHWVQIZPNUSR-UHFFFAOYSA-N |
| TotalMolweight | 394.478 |
| Molweight | 394.478 |
| MonoisotopicMass | 394.055816 |
| CLogP | 3.5006 |
| CLogS | -5.855 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.7 |
| Relative PSA | 0.35938 |
| PolarSurfaceArea | 130.61 |
| Druglikeness | 9.1159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| 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 - 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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