1-[(4-bromophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C24H19N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C24H19N4O2Br |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C24H19BrN4O2/c25-20-11-9-18(10-12-20)17-29-14-13-23(28-29)24(30)27-26-16-19-5-4-8-22(15-19)31-21-6-2-1-3-7-21/h1-16H,17H2,(H,27,30) |
| InChIK | CUARFAJOJVKBID-UHFFFAOYSA-N |
| TotalMolweight | 475.345 |
| Molweight | 475.345 |
| MonoisotopicMass | 474.069137 |
| CLogP | 4.7962 |
| CLogS | -6.433 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 336.86 |
| Relative PSA | 0.18954 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.3083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| 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 | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide
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