2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
Formula:C24H19N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one |
| MolecularFormula | C24H19N2OBr |
| Smiles | O=C1N(CCc2ccccc2)C(/C=C/c2cccc(Br)c2)=Nc2c1cccc2 |
| InChI | InChI=1S/C24H19BrN2O/c25-20-10-6-9-19(17-20)13-14-23-26-22-12-5-4-11-21(22)24(28)27(23)16-15-18-7-2-1-3-8-18/h1-14,17H,15-16H2 |
| InChIK | PDGXBUIURJBISY-UHFFFAOYSA-N |
| TotalMolweight | 431.332 |
| Molweight | 431.332 |
| MonoisotopicMass | 430.068074 |
| CLogP | 5.3883 |
| CLogS | -5.482 |
| H Acceptors | 3 |
| TotalSurfaceArea | 302.95 |
| Relative PSA | 0.092755 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.4887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one | 2 - 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off