3-benzyl-N-[(Z)-(4-cyanophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
Formula:C24H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-N-[(Z)-(4-cyanophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-(4-cyanophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide |
| MolecularFormula | C24H17N5O2 |
| Smiles | N#Cc1ccc(/C=N\NC(C(c2c3cccc2)=NN(Cc2ccccc2)C3=O)=O)cc1 |
| InChI | InChI=1S/C24H17N5O2/c25-14-17-10-12-18(13-11-17)15-26-27-23(30)22-20-8-4-5-9-21(20)24(31)29(28-22)16-19-6-2-1-3-7-19/h1-13,15H,16H2,(H,27,30) |
| InChIK | NHMRVGJDFOUMEA-UHFFFAOYSA-N |
| TotalMolweight | 407.432 |
| Molweight | 407.432 |
| MonoisotopicMass | 407.138225 |
| CLogP | 3.5177 |
| CLogS | -6.153 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.74 |
| Relative PSA | 0.24292 |
| PolarSurfaceArea | 97.92 |
| Druglikeness | 3.1945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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