N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
Formula:C27H19N6F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine |
| MolecularFormula | C27H19N6F3 |
| Smiles | FC(c1nc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)nc(-c2ccccc2)c1)(F)F |
| InChI | InChI=1S/C27H19F3N6/c28-27(29,30)24-16-23(19-10-4-1-5-11-19)32-26(33-24)34-31-17-21-18-36(22-14-8-3-9-15-22)35-25(21)20-12-6-2-7-13-20/h1-18H,(H,32,33,34) |
| InChIK | UWAOHFGNWADRQT-UHFFFAOYSA-N |
| TotalMolweight | 484.484 |
| Molweight | 484.484 |
| MonoisotopicMass | 484.162328 |
| CLogP | 7.2187 |
| CLogS | -6.509 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.46 |
| Relative PSA | 0.17265 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | -3.0944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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