N-[2-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-phenylbutanamide
Formula:C17H18N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-phenylbutanamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-phenylbutanamide |
| MolecularFormula | C17H18N3O3Br |
| Smiles | O=C(CCCc1ccccc1)NCC(N/N=C\c(o1)ccc1Br)=O |
| InChI | InChI=1S/C17H18BrN3O3/c18-15-10-9-14(24-15)11-20-21-17(23)12-19-16(22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,22)(H,21,23) |
| InChIK | YCRNJUKXYNIHFZ-UHFFFAOYSA-N |
| TotalMolweight | 392.252 |
| Molweight | 392.252 |
| MonoisotopicMass | 391.053153 |
| CLogP | 3.2035 |
| CLogS | -4.272 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 279.56 |
| Relative PSA | 0.26692 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | -0.29486 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-phenylbutanamide | 2 - N-[2-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-phenylbutanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off