2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C24H17N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C24H17N5O2S |
| Smiles | N#CC1=C(c2ccccc2)C(c2ccccc2)=NN(CC(N/N=C\c2cccs2)=O)C1=O |
| InChI | InChI=1S/C24H17N5O2S/c25-14-20-22(17-8-3-1-4-9-17)23(18-10-5-2-6-11-18)28-29(24(20)31)16-21(30)27-26-15-19-12-7-13-32-19/h1-13,15H,16H2,(H,27,30) |
| InChIK | ORGDXRQEHYQXCK-UHFFFAOYSA-N |
| TotalMolweight | 439.498 |
| Molweight | 439.498 |
| MonoisotopicMass | 439.110295 |
| CLogP | 3.1504 |
| CLogS | -5.37 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 338.6 |
| Relative PSA | 0.28952 |
| PolarSurfaceArea | 126.16 |
| Druglikeness | 4.2024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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