2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C22H17N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C22H17N5O2S |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C22H17N5O2S/c28-20(26-24-14-16-7-6-12-23-13-16)15-30-22-25-19-11-5-4-10-18(19)21(29)27(22)17-8-2-1-3-9-17/h1-14H,15H2,(H,26,28) |
| InChIK | WYYRLXRNTWEFJD-UHFFFAOYSA-N |
| TotalMolweight | 415.476 |
| Molweight | 415.476 |
| MonoisotopicMass | 415.110295 |
| CLogP | 3.2096 |
| CLogS | -5.33 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 314.28 |
| Relative PSA | 0.29455 |
| PolarSurfaceArea | 112.32 |
| Druglikeness | 5.7291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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