(2Z)-2-cyano-2-[(5Z)-4-oxo-3-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
Formula:C27H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-2-[(5Z)-4-oxo-3-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]-N-phenylacetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[(5Z)-4-oxo-3-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]-N-phenylacetamide |
| MolecularFormula | C27H19N3O2S |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C27H19N3O2S/c28-19-23(25(31)29-21-14-6-2-7-15-21)27-30(22-16-8-3-9-17-22)26(32)24(33-27)18-10-13-20-11-4-1-5-12-20/h1-18H,(H,29,31) |
| InChIK | JBIIMLBJNKFAJI-UHFFFAOYSA-N |
| TotalMolweight | 449.533 |
| Molweight | 449.533 |
| MonoisotopicMass | 449.119797 |
| CLogP | 5.3711 |
| CLogS | -6.625 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.87 |
| Relative PSA | 0.20619 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.75202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[(5Z)-4-oxo-3-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]-N-phenylacetamide | 2 - (2Z)-2-cyano-2-[(5Z)-4-oxo-3-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off