(E)-N-(furan-2-ylmethylcarbamothioyl)-3-phenylprop-2-enamide
Formula:C15H14N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-(furan-2-ylmethylcarbamothioyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(furan-2-ylmethylcarbamothioyl)-3-phenylprop-2-enamide |
| MolecularFormula | C15H14N2O2S |
| Smiles | O=C(/C=C/c1ccccc1)NC(NCc1ccco1)=S |
| InChI | InChI=1S/C15H14N2O2S/c18-14(9-8-12-5-2-1-3-6-12)17-15(20)16-11-13-7-4-10-19-13/h1-10H,11H2,(H2,16,17,18,20) |
| InChIK | GWKVXNNHMIERIH-UHFFFAOYSA-N |
| TotalMolweight | 286.354 |
| Molweight | 286.354 |
| MonoisotopicMass | 286.077598 |
| CLogP | 2.2168 |
| CLogS | -3.541 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 236.35 |
| Relative PSA | 0.33032 |
| PolarSurfaceArea | 86.36 |
| Druglikeness | 0.17667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(furan-2-ylmethylcarbamothioyl)-3-phenylprop-2-enamide | 2 - (E)-N-(furan-2-ylmethylcarbamothioyl)-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off