N-(2,3-dichlorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Formula:C24H16N5O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,3-dichlorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2,3-dichlorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide |
| MolecularFormula | C24H16N5O2Cl2F |
| Smiles | O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C24H16Cl2FN5O2/c25-19-7-4-8-20(21(19)26)29-23(33)24(34)30-28-13-16-14-32(18-5-2-1-3-6-18)31-22(16)15-9-11-17(27)12-10-15/h1-14H,(H,29,33)(H,30,34) |
| InChIK | FTXXTFYWUZWMPI-UHFFFAOYSA-N |
| TotalMolweight | 496.328 |
| Molweight | 496.328 |
| MonoisotopicMass | 495.066507 |
| CLogP | 4.3757 |
| CLogS | -6.824 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 360.87 |
| Relative PSA | 0.21711 |
| PolarSurfaceArea | 88.38 |
| Druglikeness | 3.7713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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