N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
Formula:C24H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide |
| MolecularFormula | C24H17N4OBr |
| Smiles | O=C(c1nc(-c2ccccc2)cc(-c2ccccc2)n1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C24H17BrN4O/c25-20-13-11-17(12-14-20)16-26-29-24(30)23-27-21(18-7-3-1-4-8-18)15-22(28-23)19-9-5-2-6-10-19/h1-16H,(H,29,30) |
| InChIK | MDGPPWPQVCMINQ-UHFFFAOYSA-N |
| TotalMolweight | 457.33 |
| Molweight | 457.33 |
| MonoisotopicMass | 456.058572 |
| CLogP | 5.7535 |
| CLogS | -6.391 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.66 |
| Relative PSA | 0.1796 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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