3-[(Z)-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenyl]methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
Formula:C38H28N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenyl]methylideneamino]-2-(phenoxymethyl)quinazolin-4-one is not a drug-like molecule.
| MolName | 3-[(Z)-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenyl]methylideneamino]-2-(phenoxymethyl)quinazolin-4-one |
| MolecularFormula | C38H28N6O4 |
| Smiles | O=C(c(cccc1)c1N=C1COc2ccccc2)N1/N=C\c1ccc(/C=N\N(C(COc2ccccc2)=Nc2c3cccc2)C3=O)cc1 |
| InChI | InChI=1S/C38H28N6O4/c45-37-31-15-7-9-17-33(31)41-35(25-47-29-11-3-1-4-12-29)43(37)39-23-27-19-21-28(22-20-27)24-40-44-36(26-48-30-13-5-2-6-14-30)42-34-18-10-8-16-32(34)38(44)46/h1-24H,25-26H2 |
| InChIK | CDTSUBNTJAQSHZ-UHFFFAOYSA-N |
| TotalMolweight | 632.678 |
| Molweight | 632.678 |
| MonoisotopicMass | 632.217204 |
| CLogP | 5.7778 |
| CLogS | -7.544 |
| H Acceptors | 10 |
| TotalSurfaceArea | 484.38 |
| Relative PSA | 0.20484 |
| PolarSurfaceArea | 108.52 |
| Druglikeness | 3.4745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 48 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 4 |
| Symmetricatoms | 27 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenyl]methylideneamino]-2-(phenoxymethyl)quinazolin-4-one | 2 - 3-[(Z)-[4-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenyl]methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
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