3-[(Z)-(4-bromophenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
Formula:C22H16N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(4-bromophenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(4-bromophenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one |
| MolecularFormula | C22H16N3O2Br |
| Smiles | O=C(c(cccc1)c1N=C1COc2ccccc2)N1/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C22H16BrN3O2/c23-17-12-10-16(11-13-17)14-24-26-21(15-28-18-6-2-1-3-7-18)25-20-9-5-4-8-19(20)22(26)27/h1-14H,15H2 |
| InChIK | QBEJLGLDYKAEEW-UHFFFAOYSA-N |
| TotalMolweight | 434.292 |
| Molweight | 434.292 |
| MonoisotopicMass | 433.042588 |
| CLogP | 4.4439 |
| CLogS | -5.414 |
| H Acceptors | 5 |
| TotalSurfaceArea | 297.45 |
| Relative PSA | 0.16678 |
| PolarSurfaceArea | 54.26 |
| Druglikeness | 1.6845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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