| MolName | (E)-3-thiophen-2-yl-N-[5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide |
| MolecularFormula | C24H18N2O2S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1c(cccc2NC(/C=C/c3cccs3)=O)c2ccc1 |
| InChI | InChI=1S/C24H18N2O2S2/c27-23(13-11-17-5-3-15-29-17)25-21-9-1-7-19-20(21)8-2-10-22(19)26-24(28)14-12-18-6-4-16-30-18/h1-16H,(H,25,27)(H,26,28) |
| InChIK | DPBJFHGOEBDBFD-UHFFFAOYSA-N |
| TotalMolweight | 430.551 |
| Molweight | 430.551 |
| MonoisotopicMass | 430.080968 |
| CLogP | 5.5406 |
| CLogS | -7.006 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 330.68 |
| Relative PSA | 0.27132 |
| PolarSurfaceArea | 114.68 |
| Druglikeness | 1.6538 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 15 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-thiophen-2-yl-N-[5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide | 2 - (E)-3-thiophen-2-yl-N-[5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide