2-thiophen-2-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C18H13N2O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-thiophen-2-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-thiophen-2-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C18H13N2O2F3S |
| Smiles | O=C(Cc1cccs1)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C18H13F3N2O2S/c19-18(20,21)13-4-1-3-12(9-13)16-7-6-14(25-16)11-22-23-17(24)10-15-5-2-8-26-15/h1-9,11H,10H2,(H,23,24) |
| InChIK | BTRMEERRRFTSRC-UHFFFAOYSA-N |
| TotalMolweight | 378.373 |
| Molweight | 378.373 |
| MonoisotopicMass | 378.064982 |
| CLogP | 4.8535 |
| CLogS | -5.934 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.6 |
| Relative PSA | 0.25573 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 0.60055 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-thiophen-2-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-thiophen-2-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off