N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine
Formula:C24H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine |
| MolecularFormula | C24H18N4O2 |
| Smiles | C1Oc(cc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc2)c2O1 |
| InChI | InChI=1S/C24H18N4O2/c1-3-7-18(8-4-1)20-14-21(19-9-5-2-6-10-19)27-24(26-20)28-25-15-17-11-12-22-23(13-17)30-16-29-22/h1-15H,16H2,(H,26,27,28) |
| InChIK | WYBFHVLXBCOOKC-UHFFFAOYSA-N |
| TotalMolweight | 394.433 |
| Molweight | 394.433 |
| MonoisotopicMass | 394.142976 |
| CLogP | 7.259 |
| CLogS | -6.683 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.54 |
| Relative PSA | 0.21175 |
| PolarSurfaceArea | 68.63 |
| Druglikeness | 1.9109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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