N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
Formula:C24H16N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide |
| MolecularFormula | C24H16N4OCl2 |
| Smiles | O=C(c1nc(-c2ccccc2)cc(-c2ccccc2)n1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C24H16Cl2N4O/c25-19-12-11-18(20(26)13-19)15-27-30-24(31)23-28-21(16-7-3-1-4-8-16)14-22(29-23)17-9-5-2-6-10-17/h1-15H,(H,30,31) |
| InChIK | VIMLIXNJKNRKHC-UHFFFAOYSA-N |
| TotalMolweight | 447.324 |
| Molweight | 447.324 |
| MonoisotopicMass | 446.070115 |
| CLogP | 6.2403 |
| CLogS | -7.029 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.87 |
| Relative PSA | 0.17305 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
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