2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C29H22N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H22N4O2S |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C29H22N4O2S/c34-27(32-30-19-21-15-17-23(18-16-21)22-9-3-1-4-10-22)20-36-29-31-26-14-8-7-13-25(26)28(35)33(29)24-11-5-2-6-12-24/h1-19H,20H2,(H,32,34) |
| InChIK | QLEHVSURMOWEII-UHFFFAOYSA-N |
| TotalMolweight | 490.586 |
| Molweight | 490.586 |
| MonoisotopicMass | 490.146346 |
| CLogP | 5.8697 |
| CLogS | -8.211 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 375.28 |
| Relative PSA | 0.21744 |
| 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 | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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