4-[(2E)-2-[3-methylidene-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzamide
Formula:C20H16N6O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(2E)-2-[3-methylidene-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzamide is a drug-like molecule.
| MolName | 4-[(2E)-2-[3-methylidene-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzamide |
| MolecularFormula | C20H16N6O2S |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2C(N)=O)NN1c1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C20H16N6O2S/c1-12-17(24-23-15-9-7-14(8-10-15)18(21)27)19(28)26(25-12)20-22-16(11-29-20)13-5-3-2-4-6-13/h2-11,23,25H,1H2,(H2,21,27) |
| InChIK | CXAZECQBXBJGAT-UHFFFAOYSA-N |
| TotalMolweight | 404.453 |
| Molweight | 404.453 |
| MonoisotopicMass | 404.105544 |
| CLogP | 3.6449 |
| CLogS | -4.622 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 296.94 |
| Relative PSA | 0.37267 |
| PolarSurfaceArea | 140.95 |
| Druglikeness | 3.2383 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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