2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
Formula:C35H25N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C35H25N7O2 |
| Smiles | N#CC1=C(c2ccccc2)C(c2ccccc2)=NN(CC(N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C35H25N7O2/c36-21-30-32(25-13-5-1-6-14-25)34(27-17-9-3-10-18-27)40-42(35(30)44)24-31(43)38-37-22-28-23-41(29-19-11-4-12-20-29)39-33(28)26-15-7-2-8-16-26/h1-20,22-23H,24H2,(H,38,43) |
| InChIK | QRPGTAAVVPNIQE-UHFFFAOYSA-N |
| TotalMolweight | 575.631 |
| Molweight | 575.631 |
| MonoisotopicMass | 575.206973 |
| CLogP | 4.2028 |
| CLogS | -6.873 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 450.14 |
| Relative PSA | 0.21218 |
| PolarSurfaceArea | 115.74 |
| Druglikeness | 2.93 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
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