2-[2-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H20N4O5S |
| Smiles | OC(COc1c(/C=N\NC(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)=O)cccc1)=O |
| InChI | InChI=1S/C25H20N4O5S/c30-22(28-26-14-17-8-4-7-13-21(17)34-15-23(31)32)16-35-25-27-20-12-6-5-11-19(20)24(33)29(25)18-9-2-1-3-10-18/h1-14H,15-16H2,(H,28,30)(H,31,32) |
| InChIK | BWNRDSDJQHSNEH-UHFFFAOYSA-N |
| TotalMolweight | 488.523 |
| Molweight | 488.523 |
| MonoisotopicMass | 488.115441 |
| CLogP | 3.2705 |
| CLogS | -5.918 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 363.38 |
| Relative PSA | 0.32401 |
| PolarSurfaceArea | 145.96 |
| Druglikeness | 5.6305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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