2-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C29H24N7OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]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-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C29H24N7OCl |
| Smiles | Clc1c(COc2cc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)ccc2)cccc1 |
| InChI | InChI=1S/C29H24ClN7O/c30-26-17-8-7-11-22(26)20-38-25-16-9-10-21(18-25)19-31-37-29-35-27(32-23-12-3-1-4-13-23)34-28(36-29)33-24-14-5-2-6-15-24/h1-19H,20H2,(H3,32,33,34,35,36,37) |
| InChIK | DFVJROJGECUPAQ-UHFFFAOYSA-N |
| TotalMolweight | 522.011 |
| Molweight | 522.011 |
| MonoisotopicMass | 521.173085 |
| CLogP | 9.2774 |
| CLogS | -8.568 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 406.9 |
| Relative PSA | 0.21824 |
| PolarSurfaceArea | 96.35 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| 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 | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]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