4-bromo-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
Formula:C22H16N5OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C22H16N5OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C22H16BrN5O/c23-19-10-8-16(9-11-19)22(29)26-25-14-18-15-28(20-6-2-1-3-7-20)27-21(18)17-5-4-12-24-13-17/h1-15H,(H,26,29) |
| InChIK | UJKRJKVTJMEHDG-UHFFFAOYSA-N |
| TotalMolweight | 446.307 |
| Molweight | 446.307 |
| MonoisotopicMass | 445.053821 |
| CLogP | 3.8449 |
| CLogS | -5.273 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.86 |
| Relative PSA | 0.20785 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 4.1221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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