(E)-N-[(4-anilinophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C20H17N3OS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-[(4-anilinophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-anilinophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H17N3OS2 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1Nc1ccccc1)=S |
| InChI | InChI=1S/C20H17N3OS2/c24-19(13-12-18-7-4-14-26-18)23-20(25)22-17-10-8-16(9-11-17)21-15-5-2-1-3-6-15/h1-14,21H,(H2,22,23,24,25) |
| InChIK | LLDBPLIFTYWXMX-UHFFFAOYSA-N |
| TotalMolweight | 379.507 |
| Molweight | 379.507 |
| MonoisotopicMass | 379.081302 |
| CLogP | 4.7157 |
| CLogS | -5.631 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 300.06 |
| Relative PSA | 0.3192 |
| PolarSurfaceArea | 113.49 |
| Druglikeness | 1.5185 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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