6-oxo-3,4-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
Formula:C22H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-oxo-3,4-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide is a drug-like molecule.
| MolName | 6-oxo-3,4-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide |
| MolecularFormula | C22H16N4O2S |
| Smiles | O=C(C1=C(c2ccccc2)C(c2ccccc2)=NNC1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C22H16N4O2S/c27-21(25-23-14-17-12-7-13-29-17)19-18(15-8-3-1-4-9-15)20(24-26-22(19)28)16-10-5-2-6-11-16/h1-14H,(H,25,27)(H,26,28) |
| InChIK | AHUGXBBPJOBHSS-UHFFFAOYSA-N |
| TotalMolweight | 400.461 |
| Molweight | 400.461 |
| MonoisotopicMass | 400.099396 |
| CLogP | 3.4808 |
| CLogS | -5.427 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 304.29 |
| Relative PSA | 0.30359 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | 7.0203 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 6-oxo-3,4-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide | 2 - 6-oxo-3,4-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off