5-bromo-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide
Formula:C21H14N4O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C21H14N4O2BrF |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F |
| InChI | InChI=1S/C21H14BrFN4O2/c22-19-11-10-18(29-19)21(28)25-24-12-15-13-27(17-4-2-1-3-5-17)26-20(15)14-6-8-16(23)9-7-14/h1-13H,(H,25,28) |
| InChIK | JDRYSMXWTTZHLO-UHFFFAOYSA-N |
| TotalMolweight | 453.27 |
| Molweight | 453.27 |
| MonoisotopicMass | 452.028415 |
| CLogP | 4.2327 |
| CLogS | -5.827 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.14 |
| Relative PSA | 0.21984 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 2.2317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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