2-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C29H24N7OBr
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C29H24N7OBr |
| Smiles | Brc(cc1)cc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1OCc1ccccc1 |
| InChI | InChI=1S/C29H24BrN7O/c30-23-16-17-26(38-20-21-10-4-1-5-11-21)22(18-23)19-31-37-29-35-27(32-24-12-6-2-7-13-24)34-28(36-29)33-25-14-8-3-9-15-25/h1-19H,20H2,(H3,32,33,34,35,36,37) |
| InChIK | NBLYWDXZOLSJRG-UHFFFAOYSA-N |
| TotalMolweight | 566.462 |
| Molweight | 566.462 |
| MonoisotopicMass | 565.122569 |
| CLogP | 9.3966 |
| CLogS | -8.666 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 410.11 |
| Relative PSA | 0.21653 |
| PolarSurfaceArea | 96.35 |
| Druglikeness | 0.0275 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off