6-oxo-3,4-diphenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
Formula:C23H17N5O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
6-oxo-3,4-diphenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide is a drug-like molecule.
| MolName | 6-oxo-3,4-diphenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide |
| MolecularFormula | C23H17N5O2 |
| Smiles | O=C(C1=C(c2ccccc2)C(c2ccccc2)=NNC1=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C23H17N5O2/c29-22(27-25-15-18-13-7-8-14-24-18)20-19(16-9-3-1-4-10-16)21(26-28-23(20)30)17-11-5-2-6-12-17/h1-15H,(H,27,29)(H,28,30) |
| InChIK | YKPNMBBZTPGXSS-UHFFFAOYSA-N |
| TotalMolweight | 395.421 |
| Molweight | 395.421 |
| MonoisotopicMass | 395.138225 |
| CLogP | 2.6673 |
| CLogS | -4.646 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 307.11 |
| Relative PSA | 0.27023 |
| PolarSurfaceArea | 95.81 |
| Druglikeness | 5.6629 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 6-oxo-3,4-diphenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide | 2 - 6-oxo-3,4-diphenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
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