N-(2-chlorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Formula:C24H17N5O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-chlorophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide |
| MolecularFormula | C24H17N5O2ClF |
| Smiles | O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C24H17ClFN5O2/c25-20-8-4-5-9-21(20)28-23(32)24(33)29-27-14-17-15-31(19-6-2-1-3-7-19)30-22(17)16-10-12-18(26)13-11-16/h1-15H,(H,28,32)(H,29,33) |
| InChIK | MCUBCFPHNDPGQA-UHFFFAOYSA-N |
| TotalMolweight | 461.883 |
| Molweight | 461.883 |
| MonoisotopicMass | 461.10548 |
| CLogP | 3.7697 |
| CLogS | -6.088 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 345.45 |
| Relative PSA | 0.22681 |
| 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 | 0.51515 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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