N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2-(trifluoromethyl)benzamide
Formula:C15H12N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2-(trifluoromethyl)benzamide |
| MolecularFormula | C15H12N3O2F3S |
| Smiles | O=C(CNC(c1c(C(F)(F)F)cccc1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H12F3N3O2S/c16-15(17,18)12-6-2-1-5-11(12)14(23)19-9-13(22)21-20-8-10-4-3-7-24-10/h1-8H,9H2,(H,19,23)(H,21,22) |
| InChIK | YABYOGQCKBQIBQ-UHFFFAOYSA-N |
| TotalMolweight | 355.339 |
| Molweight | 355.339 |
| MonoisotopicMass | 355.060231 |
| CLogP | 3.0002 |
| CLogS | -4.276 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.36 |
| Relative PSA | 0.31669 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | -0.34509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2-(trifluoromethyl)benzamide | 2 - N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2-(trifluoromethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off