3-benzyl-4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]phthalazine-1-carboxamide
Formula:C21H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]phthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-4-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]phthalazine-1-carboxamide |
| MolecularFormula | C21H16N4O2S |
| Smiles | O=C(C(c1c2cccc1)=NN(Cc1ccccc1)C2=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C21H16N4O2S/c26-20(23-22-13-16-9-6-12-28-16)19-17-10-4-5-11-18(17)21(27)25(24-19)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,26) |
| InChIK | VKZKJYJLRQDUOD-UHFFFAOYSA-N |
| TotalMolweight | 388.45 |
| Molweight | 388.45 |
| MonoisotopicMass | 388.099396 |
| CLogP | 3.5487 |
| CLogS | -5.39 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.97 |
| Relative PSA | 0.28734 |
| PolarSurfaceArea | 102.37 |
| Druglikeness | 8.7364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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