2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C21H16N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H16N4O2S2 |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C21H16N4O2S2/c26-19(24-22-13-16-9-6-12-28-16)14-29-21-23-18-11-5-4-10-17(18)20(27)25(21)15-7-2-1-3-8-15/h1-13H,14H2,(H,24,26) |
| InChIK | HQYOQUKWESUKER-UHFFFAOYSA-N |
| TotalMolweight | 420.516 |
| Molweight | 420.516 |
| MonoisotopicMass | 420.071466 |
| CLogP | 4.0771 |
| CLogS | -6.135 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.46 |
| Relative PSA | 0.32736 |
| PolarSurfaceArea | 127.67 |
| Druglikeness | 6.9791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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