(E)-N-[(2,6-dichlorophenyl)methylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C15H12N2OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(2,6-dichlorophenyl)methylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2,6-dichlorophenyl)methylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C15H12N2OCl2S2 |
| Smiles | O=C(/C=C/c1cccs1)NC(NCc(c(Cl)ccc1)c1Cl)=S |
| InChI | InChI=1S/C15H12Cl2N2OS2/c16-12-4-1-5-13(17)11(12)9-18-15(21)19-14(20)7-6-10-3-2-8-22-10/h1-8H,9H2,(H2,18,19,20,21) |
| InChIK | WLFADPWMVLKWSS-UHFFFAOYSA-N |
| TotalMolweight | 371.311 |
| Molweight | 371.311 |
| MonoisotopicMass | 369.976807 |
| CLogP | 4.1067 |
| CLogS | -5.341 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 273.44 |
| Relative PSA | 0.30837 |
| PolarSurfaceArea | 101.46 |
| Druglikeness | 1.9739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(2,6-dichlorophenyl)methylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[(2,6-dichlorophenyl)methylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide
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