N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
Formula:C24H13N4OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide |
| MolecularFormula | C24H13N4OF5 |
| Smiles | O=C(c1nc(-c2ccccc2)cc(-c2ccccc2)n1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C24H13F5N4O/c25-18-15(19(26)21(28)22(29)20(18)27)12-30-33-24(34)23-31-16(13-7-3-1-4-8-13)11-17(32-23)14-9-5-2-6-10-14/h1-12H,(H,33,34) |
| InChIK | KNYZDUPXEWGIJU-UHFFFAOYSA-N |
| TotalMolweight | 468.384 |
| Molweight | 468.384 |
| MonoisotopicMass | 468.100951 |
| CLogP | 5.5323 |
| CLogS | -7.127 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.78 |
| Relative PSA | 0.17258 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off