2-(4-bromophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-4-amine
Formula:C20H14N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-4-amine |
| MolecularFormula | C20H14N5Br |
| Smiles | Brc(cc1)ccc1-c1nc2ccccc2c(N/N=C\c2cnccc2)n1 |
| InChI | InChI=1S/C20H14BrN5/c21-16-9-7-15(8-10-16)19-24-18-6-2-1-5-17(18)20(25-19)26-23-13-14-4-3-11-22-12-14/h1-13H,(H,24,25,26) |
| InChIK | JBUSEXSUGVMELD-UHFFFAOYSA-N |
| TotalMolweight | 404.27 |
| Molweight | 404.27 |
| MonoisotopicMass | 403.043256 |
| CLogP | 6.3133 |
| CLogS | -6.355 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.51 |
| Relative PSA | 0.20064 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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