3-benzyl-4-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
Formula:C22H17N5O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-benzyl-4-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-4-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide |
| MolecularFormula | C22H17N5O2 |
| Smiles | O=C(C(c1c2cccc1)=NN(Cc1ccccc1)C2=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C22H17N5O2/c28-21(25-24-14-17-10-6-7-13-23-17)20-18-11-4-5-12-19(18)22(29)27(26-20)15-16-8-2-1-3-9-16/h1-14H,15H2,(H,25,28) |
| InChIK | JYEKEKGONZNBFV-UHFFFAOYSA-N |
| TotalMolweight | 383.41 |
| Molweight | 383.41 |
| MonoisotopicMass | 383.138225 |
| CLogP | 2.7352 |
| CLogS | -4.609 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 296.79 |
| Relative PSA | 0.25297 |
| PolarSurfaceArea | 87.02 |
| Druglikeness | 7.4745 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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