N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
Formula:C21H15N5OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine |
| MolecularFormula | C21H15N5OF2 |
| Smiles | FC(Oc1ccc(/C=N\Nc2nc(-c3ccncc3)nc3ccccc23)cc1)F |
| InChI | InChI=1S/C21H15F2N5O/c22-21(23)29-16-7-5-14(6-8-16)13-25-28-20-17-3-1-2-4-18(17)26-19(27-20)15-9-11-24-12-10-15/h1-13,21H,(H,26,27,28) |
| InChIK | GQEAQOXBSRWYGT-UHFFFAOYSA-N |
| TotalMolweight | 391.38 |
| Molweight | 391.38 |
| MonoisotopicMass | 391.124466 |
| CLogP | 5.7575 |
| CLogS | -6.143 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.08 |
| Relative PSA | 0.22326 |
| PolarSurfaceArea | 72.29 |
| Druglikeness | -0.6935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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