N-[(Z)-benzylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C23H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C23H18N4O2S |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H18N4O2S/c28-21(26-24-15-17-9-3-1-4-10-17)16-30-23-25-20-14-8-7-13-19(20)22(29)27(23)18-11-5-2-6-12-18/h1-15H,16H2,(H,26,28) |
| InChIK | CBNWXPABBIREDN-UHFFFAOYSA-N |
| TotalMolweight | 414.488 |
| Molweight | 414.488 |
| MonoisotopicMass | 414.115046 |
| CLogP | 4.2105 |
| CLogS | -6.125 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 315.52 |
| Relative PSA | 0.25862 |
| PolarSurfaceArea | 99.43 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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