N-[2-[[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
Formula:C20H14N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C20H14N3O5Br |
| Smiles | O=C(c1ccco1)Nc(cccc1)c1C(N/N=C\c(cc1OCOc1c1)c1Br)=O |
| InChI | InChI=1S/C20H14BrN3O5/c21-14-9-18-17(28-11-29-18)8-12(14)10-22-24-19(25)13-4-1-2-5-15(13)23-20(26)16-6-3-7-27-16/h1-10H,11H2,(H,23,26)(H,24,25) |
| InChIK | FPNRUYHSRZWJDU-UHFFFAOYSA-N |
| TotalMolweight | 456.251 |
| Molweight | 456.251 |
| MonoisotopicMass | 455.011683 |
| CLogP | 4.3744 |
| CLogS | -6.46 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 304.54 |
| Relative PSA | 0.3107 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | 3.0435 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide | 2 - N-[2-[[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
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