2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-one
Formula:C23H15N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-one |
| MolecularFormula | C23H15N3OF2 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cccc2)c2F)N1/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C23H15F2N3O/c24-19-10-4-1-7-16(19)13-14-22-27-21-12-6-3-9-18(21)23(29)28(22)26-15-17-8-2-5-11-20(17)25/h1-15H |
| InChIK | PGUOFXVWLQJPDP-UHFFFAOYSA-N |
| TotalMolweight | 387.388 |
| Molweight | 387.388 |
| MonoisotopicMass | 387.118318 |
| CLogP | 4.6746 |
| CLogS | -5.798 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.26 |
| Relative PSA | 0.13461 |
| PolarSurfaceArea | 45.03 |
| Druglikeness | 2.5508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| StereoCon |
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1 - 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-one | 2 - 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-one
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