N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenoxyacetamide
Formula:C24H19N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenoxyacetamide |
| MolecularFormula | C24H19N4O2F |
| Smiles | O=C(COc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F |
| InChI | InChI=1S/C24H19FN4O2/c25-20-13-11-18(12-14-20)24-19(16-29(28-24)21-7-3-1-4-8-21)15-26-27-23(30)17-31-22-9-5-2-6-10-22/h1-16H,17H2,(H,27,30) |
| InChIK | YKPXPYZPGZQRPG-UHFFFAOYSA-N |
| TotalMolweight | 414.439 |
| Molweight | 414.439 |
| MonoisotopicMass | 414.149204 |
| CLogP | 3.7963 |
| CLogS | -5.328 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.58 |
| Relative PSA | 0.19672 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 4.3698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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