2-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenoxy]acetate
Formula:C24H18N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenoxy]acetate |
| MolecularFormula | C24H18N3O5 |
| Smiles | [O-]C(COc1ccc(/C=N\N(C(COc2ccccc2)=Nc2c3cccc2)C3=O)cc1)=O |
| InChI | InChI=1S/C24H19N3O5/c28-23(29)16-32-19-12-10-17(11-13-19)14-25-27-22(15-31-18-6-2-1-3-7-18)26-21-9-5-4-8-20(21)24(27)30/h1-14H,15-16H2,(H,28,29)/p-1 |
| InChIK | DIMCFYCVDIHDGT-UHFFFAOYSA-M |
| TotalMolweight | 428.423 |
| Molweight | 428.423 |
| MonoisotopicMass | 428.124647 |
| CLogP | 0.7027 |
| CLogS | -4.373 |
| H Acceptors | 8 |
| TotalSurfaceArea | 327.86 |
| Relative PSA | 0.26514 |
| PolarSurfaceArea | 103.62 |
| Druglikeness | 3.7395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenoxy]acetate | 2 - 2-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenoxy]acetate
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