2-[(E)-2-(4-bromophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Formula:C23H14N2OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(4-bromophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one |
| MolecularFormula | C23H14N2OBrF3 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2Br)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H14BrF3N2O/c24-17-11-8-15(9-12-17)10-13-21-28-20-7-2-1-6-19(20)22(30)29(21)18-5-3-4-16(14-18)23(25,26)27/h1-14H |
| InChIK | IZKAVUZQOKZSJO-UHFFFAOYSA-N |
| TotalMolweight | 471.275 |
| Molweight | 471.275 |
| MonoisotopicMass | 470.024158 |
| CLogP | 5.8836 |
| CLogS | -6.67 |
| H Acceptors | 3 |
| TotalSurfaceArea | 304.89 |
| Relative PSA | 0.092164 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -7.2337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-bromophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one | 2 - 2-[(E)-2-(4-bromophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
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