N-[(Z)-(4-bromophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
Formula:C22H16N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine |
| MolecularFormula | C22H16N5Br |
| Smiles | Brc1ccc(/C=N\Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C22H16BrN5/c23-19-13-11-16(12-14-19)15-24-27-22-25-20(17-7-3-1-4-8-17)21(26-28-22)18-9-5-2-6-10-18/h1-15H,(H,25,27,28) |
| InChIK | XOUQSRHXIBPNOD-UHFFFAOYSA-N |
| TotalMolweight | 430.308 |
| Molweight | 430.308 |
| MonoisotopicMass | 429.058906 |
| CLogP | 7.0439 |
| CLogS | -6.355 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.67 |
| Relative PSA | 0.18402 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
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