N-[2-[[(Z)-(4-bromophenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
Formula:C19H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[[(Z)-(4-bromophenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[[(Z)-(4-bromophenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C19H14N3O3Br |
| Smiles | O=C(c1ccco1)Nc(cccc1)c1C(N/N=C\c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C19H14BrN3O3/c20-14-9-7-13(8-10-14)12-21-23-18(24)15-4-1-2-5-16(15)22-19(25)17-6-3-11-26-17/h1-12H,(H,22,25)(H,23,24) |
| InChIK | MUFCGCLSJBJKQP-UHFFFAOYSA-N |
| TotalMolweight | 412.242 |
| Molweight | 412.242 |
| MonoisotopicMass | 411.021853 |
| CLogP | 4.263 |
| CLogS | -5.749 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 284.28 |
| Relative PSA | 0.26249 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.0666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[[(Z)-(4-bromophenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide | 2 - N-[2-[[(Z)-(4-bromophenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
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