4-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C24H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C24H18N4O4S |
| Smiles | OC(c1ccc(/C=N\NC(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)=O)cc1)=O |
| InChI | InChI=1S/C24H18N4O4S/c29-21(27-25-14-16-10-12-17(13-11-16)23(31)32)15-33-24-26-20-9-5-4-8-19(20)22(30)28(24)18-6-2-1-3-7-18/h1-14H,15H2,(H,27,29)(H,31,32) |
| InChIK | GYBCQZYAHQCFRB-UHFFFAOYSA-N |
| TotalMolweight | 458.497 |
| Molweight | 458.497 |
| MonoisotopicMass | 458.104876 |
| CLogP | 3.6956 |
| CLogS | -6.138 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 339.62 |
| Relative PSA | 0.31724 |
| PolarSurfaceArea | 136.73 |
| Druglikeness | 5.5377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
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