N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
Formula:C22H13N4OCl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine |
| MolecularFormula | C22H13N4OCl2F3 |
| Smiles | FC(c1nc(N/N=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)nc(-c2ccccc2)c1)(F)F |
| InChI | InChI=1S/C22H13Cl2F3N4O/c23-16-8-6-14(10-17(16)24)19-9-7-15(32-19)12-28-31-21-29-18(13-4-2-1-3-5-13)11-20(30-21)22(25,26)27/h1-12H,(H,29,30,31) |
| InChIK | BCXRYKKAISVFDT-UHFFFAOYSA-N |
| TotalMolweight | 477.272 |
| Molweight | 477.272 |
| MonoisotopicMass | 476.041849 |
| CLogP | 8.4506 |
| CLogS | -7.928 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.27 |
| Relative PSA | 0.17551 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | -2.7914 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine | 2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
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