3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
Formula:C23H17N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C23H17N2OF |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c(cc2)ccc2F)=Nc2c1cccc2 |
| InChI | InChI=1S/C23H17FN2O/c24-19-13-10-17(11-14-19)12-15-22-25-21-9-5-4-8-20(21)23(27)26(22)16-18-6-2-1-3-7-18/h1-15H,16H2 |
| InChIK | OEKLBNPKFQZRMQ-UHFFFAOYSA-N |
| TotalMolweight | 356.399 |
| Molweight | 356.399 |
| MonoisotopicMass | 356.132491 |
| CLogP | 4.3338 |
| CLogS | -4.85 |
| H Acceptors | 3 |
| TotalSurfaceArea | 276.91 |
| Relative PSA | 0.10148 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.7384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one | 2 - 3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off