2-N-[(Z)-(3-bromophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C22H18N7Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(3-bromophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(3-bromophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C22H18N7Br |
| Smiles | Brc1cc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1 |
| InChI | InChI=1S/C22H18BrN7/c23-17-9-7-8-16(14-17)15-24-30-22-28-20(25-18-10-3-1-4-11-18)27-21(29-22)26-19-12-5-2-6-13-19/h1-15H,(H3,25,26,27,28,29,30) |
| InChIK | SHZIJFSDEHJCLE-UHFFFAOYSA-N |
| TotalMolweight | 460.338 |
| Molweight | 460.338 |
| MonoisotopicMass | 459.080704 |
| CLogP | 8.0485 |
| CLogS | -7.325 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 326.59 |
| Relative PSA | 0.24128 |
| PolarSurfaceArea | 87.12 |
| Druglikeness | 0.76941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-(3-bromophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(3-bromophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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