N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C23H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C23H17N4O2ClS |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C23H17ClN4O2S/c24-17-8-6-7-16(13-17)14-25-27-21(29)15-31-23-26-20-12-5-4-11-19(20)22(30)28(23)18-9-2-1-3-10-18/h1-14H,15H2,(H,27,29) |
| InChIK | SAAYCKCZABYWAZ-UHFFFAOYSA-N |
| TotalMolweight | 448.933 |
| Molweight | 448.933 |
| MonoisotopicMass | 448.076073 |
| CLogP | 4.8165 |
| CLogS | -6.861 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.94 |
| Relative PSA | 0.24657 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 5.7508 |
| 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 | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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