(E)-3-[4-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C26H14N4S4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-[4-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C26H14N4S4 |
| Smiles | N#C/C(/c1nc(-c2cccs2)cs1)=C\c1ccc(/C=C(/c2nc(-c3cccs3)cs2)\C#N)cc1 |
| InChI | InChI=1S/C26H14N4S4/c27-13-19(25-29-21(15-33-25)23-3-1-9-31-23)11-17-5-7-18(8-6-17)12-20(14-28)26-30-22(16-34-26)24-4-2-10-32-24/h1-12,15-16H |
| InChIK | NDHDBTSGIRSGBK-UHFFFAOYSA-N |
| TotalMolweight | 510.689 |
| Molweight | 510.689 |
| MonoisotopicMass | 510.010126 |
| CLogP | 6.2132 |
| CLogS | -7.1 |
| H Acceptors | 4 |
| TotalSurfaceArea | 386.42 |
| Relative PSA | 0.33772 |
| PolarSurfaceArea | 186.32 |
| Druglikeness | -0.79534 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 18 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-[4-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
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