6-bromo-N-[(Z)-(4-bromophenyl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C21H14N4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-bromo-N-[(Z)-(4-bromophenyl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(4-bromophenyl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C21H14N4Br2 |
| Smiles | Brc1ccc(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)cc1 |
| InChI | InChI=1S/C21H14Br2N4/c22-16-8-6-14(7-9-16)13-24-27-21-25-19-11-10-17(23)12-18(19)20(26-21)15-4-2-1-3-5-15/h1-13H,(H,25,26,27) |
| InChIK | UCPAXGCDPDOHFG-UHFFFAOYSA-N |
| TotalMolweight | 482.178 |
| Molweight | 482.178 |
| MonoisotopicMass | 479.958518 |
| CLogP | 8.1647 |
| CLogS | -7.363 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.38 |
| Relative PSA | 0.15051 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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