N-(4-fluorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Formula:C24H17N5O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-fluorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide |
| MolecularFormula | C24H17N5O2F2 |
| Smiles | O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C24H17F2N5O2/c25-18-8-6-16(7-9-18)22-17(15-31(30-22)21-4-2-1-3-5-21)14-27-29-24(33)23(32)28-20-12-10-19(26)11-13-20/h1-15H,(H,28,32)(H,29,33) |
| InChIK | SOHINGNCDOWKME-UHFFFAOYSA-N |
| TotalMolweight | 445.428 |
| Molweight | 445.428 |
| MonoisotopicMass | 445.135031 |
| CLogP | 3.2645 |
| CLogS | -5.666 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 336.38 |
| Relative PSA | 0.23292 |
| PolarSurfaceArea | 88.38 |
| Druglikeness | 3.7533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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