3-phenyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]quinazolin-4-one
Formula:C24H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-phenyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]quinazolin-4-one |
| MolecularFormula | C24H18N2O |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/C=C/c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C24H18N2O/c27-24-21-16-8-9-17-22(21)25-23(26(24)20-14-5-2-6-15-20)18-10-7-13-19-11-3-1-4-12-19/h1-18H |
| InChIK | GNUTVBXMLXUUAJ-UHFFFAOYSA-N |
| TotalMolweight | 350.42 |
| Molweight | 350.42 |
| MonoisotopicMass | 350.141913 |
| CLogP | 4.9667 |
| CLogS | -5.37 |
| H Acceptors | 3 |
| TotalSurfaceArea | 283.3 |
| Relative PSA | 0.099188 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.9238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-phenyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]quinazolin-4-one | 2 - 3-phenyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]quinazolin-4-one
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