1-[(4-bromophenyl)methyl]-N-[(Z)-(3-bromophenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C18H14N4OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-(3-bromophenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-(3-bromophenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C18H14N4OBr2 |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C18H14Br2N4O/c19-15-6-4-13(5-7-15)12-24-9-8-17(23-24)18(25)22-21-11-14-2-1-3-16(20)10-14/h1-11H,12H2,(H,22,25) |
| InChIK | AZDAAYQGEFRKOB-UHFFFAOYSA-N |
| TotalMolweight | 462.144 |
| Molweight | 462.144 |
| MonoisotopicMass | 459.953433 |
| CLogP | 4.1258 |
| CLogS | -4.97 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.73 |
| Relative PSA | 0.18846 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(3-bromophenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(3-bromophenyl)methylideneamino]pyrazole-3-carboxamide
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