4-N-(4-chlorophenyl)-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
Formula:C20H19N7OCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-N-(4-chlorophenyl)-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 4-N-(4-chlorophenyl)-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C20H19N7OCl2 |
| Smiles | Clc1ccc(/C=N\Nc2nc(Nc(cc3)ccc3Cl)nc(N3CCOCC3)n2)cc1 |
| InChI | InChI=1S/C20H19Cl2N7O/c21-15-3-1-14(2-4-15)13-23-28-19-25-18(24-17-7-5-16(22)6-8-17)26-20(27-19)29-9-11-30-12-10-29/h1-8,13H,9-12H2,(H2,24,25,26,27,28) |
| InChIK | OCPDTIBZWQGOHC-UHFFFAOYSA-N |
| TotalMolweight | 444.325 |
| Molweight | 444.325 |
| MonoisotopicMass | 443.102812 |
| CLogP | 6.6739 |
| CLogS | -6.488 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 329.42 |
| Relative PSA | 0.24555 |
| PolarSurfaceArea | 87.56 |
| Druglikeness | 3.4415 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-N-(4-chlorophenyl)-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine | 2 - 4-N-(4-chlorophenyl)-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off