N-[(Z)-(6-bromo-4-oxochromen-3-yl)methylideneamino]-2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
Formula:C27H18N4O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(6-bromo-4-oxochromen-3-yl)methylideneamino]-2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-4-oxochromen-3-yl)methylideneamino]-2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide |
| MolecularFormula | C27H18N4O4BrCl |
| Smiles | O=C(COc(ccc(Cl)c1)c1-c1ccnn1-c1ccccc1)N/N=C\C1=COc(ccc(Br)c2)c2C1=O |
| InChI | InChI=1S/C27H18BrClN4O4/c28-18-6-8-25-22(12-18)27(35)17(15-36-25)14-30-32-26(34)16-37-24-9-7-19(29)13-21(24)23-10-11-31-33(23)20-4-2-1-3-5-20/h1-15H,16H2,(H,32,34) |
| InChIK | GXBZKKMVYWQVGZ-UHFFFAOYSA-N |
| TotalMolweight | 577.821 |
| Molweight | 577.821 |
| MonoisotopicMass | 576.019994 |
| CLogP | 4.1441 |
| CLogS | -7.134 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 391.24 |
| Relative PSA | 0.22209 |
| PolarSurfaceArea | 94.81 |
| Druglikeness | 4.396 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(6-bromo-4-oxochromen-3-yl)methylideneamino]-2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide | 2 - N-[(Z)-(6-bromo-4-oxochromen-3-yl)methylideneamino]-2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off