5-[(4-bromopyrazol-1-yl)methyl]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide
Formula:C16H8N4O2BrF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(4-bromopyrazol-1-yl)methyl]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-[(4-bromopyrazol-1-yl)methyl]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C16H8N4O2BrF5 |
| Smiles | O=C(c1ccc(Cn2ncc(Br)c2)o1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C16H8BrF5N4O2/c17-7-3-24-26(5-7)6-8-1-2-10(28-8)16(27)25-23-4-9-11(18)13(20)15(22)14(21)12(9)19/h1-5H,6H2,(H,25,27) |
| InChIK | NTZQMVXQJKADOR-UHFFFAOYSA-N |
| TotalMolweight | 463.16 |
| Molweight | 463.16 |
| MonoisotopicMass | 461.975077 |
| CLogP | 3.0933 |
| CLogS | -5.388 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.54 |
| Relative PSA | 0.23553 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 0.30551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(4-bromopyrazol-1-yl)methyl]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide | 2 - 5-[(4-bromopyrazol-1-yl)methyl]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off