N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C23H18N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C23H18N4O3S |
| Smiles | Oc1cccc(/C=N\NC(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)=O)c1 |
| InChI | InChI=1S/C23H18N4O3S/c28-18-10-6-7-16(13-18)14-24-26-21(29)15-31-23-25-20-12-5-4-11-19(20)22(30)27(23)17-8-2-1-3-9-17/h1-14,28H,15H2,(H,26,29) |
| InChIK | NWIRHBXHMBMURN-UHFFFAOYSA-N |
| TotalMolweight | 430.487 |
| Molweight | 430.487 |
| MonoisotopicMass | 430.109961 |
| CLogP | 3.8648 |
| CLogS | -5.829 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 321.87 |
| Relative PSA | 0.29422 |
| PolarSurfaceArea | 119.66 |
| Druglikeness | 5.7084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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