N-[(Z)-(2-bromophenyl)methylideneamino]-5-(4-chlorophenyl)-2-pyridin-2-ylpyrazole-3-carboxamide
Formula:C22H15N5OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-5-(4-chlorophenyl)-2-pyridin-2-ylpyrazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-5-(4-chlorophenyl)-2-pyridin-2-ylpyrazole-3-carboxamide |
| MolecularFormula | C22H15N5OBrCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nn1-c1ncccc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C22H15BrClN5O/c23-18-6-2-1-5-16(18)14-26-27-22(30)20-13-19(15-8-10-17(24)11-9-15)28-29(20)21-7-3-4-12-25-21/h1-14H,(H,27,30) |
| InChIK | KSZMXARQWJOAKN-UHFFFAOYSA-N |
| TotalMolweight | 480.752 |
| Molweight | 480.752 |
| MonoisotopicMass | 479.014848 |
| CLogP | 5.9449 |
| CLogS | -5.148 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.28 |
| Relative PSA | 0.19806 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 4.7838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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