2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one
Formula:C24H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one |
| MolecularFormula | C24H20N2O |
| Smiles | O=C1N(CCc2ccccc2)C(/C=C/c2ccccc2)=Nc2c1cccc2 |
| InChI | InChI=1S/C24H20N2O/c27-24-21-13-7-8-14-22(21)25-23(16-15-19-9-3-1-4-10-19)26(24)18-17-20-11-5-2-6-12-20/h1-16H,17-18H2 |
| InChIK | DSUBGHYDPIPQKP-UHFFFAOYSA-N |
| TotalMolweight | 352.436 |
| Molweight | 352.436 |
| MonoisotopicMass | 352.157563 |
| CLogP | 4.6631 |
| CLogS | -4.648 |
| H Acceptors | 3 |
| TotalSurfaceArea | 284.32 |
| Relative PSA | 0.098832 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.2787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one | 2 - 2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one
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