(E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-phenylprop-2-enamide
Formula:C17H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-phenylprop-2-enamide |
| MolecularFormula | C17H15N2OClS |
| Smiles | O=C(/C=C/c1ccccc1)NC(NCc(cccc1)c1Cl)=S |
| InChI | InChI=1S/C17H15ClN2OS/c18-15-9-5-4-8-14(15)12-19-17(22)20-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21,22) |
| InChIK | MVKYBVSMBPHXNM-UHFFFAOYSA-N |
| TotalMolweight | 330.838 |
| Molweight | 330.838 |
| MonoisotopicMass | 330.05936 |
| CLogP | 3.6341 |
| CLogS | -4.595 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 262.08 |
| Relative PSA | 0.24405 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -2.28E-04 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-phenylprop-2-enamide
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