(Z)-1,1-diphenyl-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine
Formula:C27H20N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1,1-diphenyl-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1,1-diphenyl-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine |
| MolecularFormula | C27H20N4S |
| Smiles | C(c1cn(-c2cccs2)nc1-c1ccccc1)=N\N=C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C27H20N4S/c1-4-11-21(12-5-1)26(22-13-6-2-7-14-22)29-28-19-24-20-31(25-17-10-18-32-25)30-27(24)23-15-8-3-9-16-23/h1-20H |
| InChIK | OXZIUAAZCYCKAK-UHFFFAOYSA-N |
| TotalMolweight | 432.55 |
| Molweight | 432.55 |
| MonoisotopicMass | 432.140866 |
| CLogP | 7.0368 |
| CLogS | -8.023 |
| H Acceptors | 4 |
| TotalSurfaceArea | 343.93 |
| Relative PSA | 0.178 |
| PolarSurfaceArea | 70.78 |
| Druglikeness | 4.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1,1-diphenyl-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine | 2 - (Z)-1,1-diphenyl-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off