4-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
Formula:C18H11N4Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine is not a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine |
| MolecularFormula | C18H11N4Cl2F3 |
| Smiles | FC(c1nc(N/N=C\c(cccc2)c2Cl)nc(-c(cc2)ccc2Cl)c1)(F)F |
| InChI | InChI=1S/C18H11Cl2F3N4/c19-13-7-5-11(6-8-13)15-9-16(18(21,22)23)26-17(25-15)27-24-10-12-3-1-2-4-14(12)20/h1-10H,(H,25,26,27) |
| InChIK | OCRXMMJREZSVPD-UHFFFAOYSA-N |
| TotalMolweight | 411.213 |
| Molweight | 411.213 |
| MonoisotopicMass | 410.031284 |
| CLogP | 7.5117 |
| CLogS | -6.468 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.82 |
| Relative PSA | 0.15658 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine | 2 - 4-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
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