(E)-3-(2,4-dichlorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide
Formula:C15H11N3O2Cl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(2,4-dichlorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide |
| MolecularFormula | C15H11N3O2Cl2S2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(NNC(c1cccs1)=O)=S |
| InChI | InChI=1S/C15H11Cl2N3O2S2/c16-10-5-3-9(11(17)8-10)4-6-13(21)18-15(23)20-19-14(22)12-2-1-7-24-12/h1-8H,(H,19,22)(H2,18,20,21,23) |
| InChIK | KBWUWSJKTUXXHN-UHFFFAOYSA-N |
| TotalMolweight | 400.309 |
| Molweight | 400.309 |
| MonoisotopicMass | 398.966971 |
| CLogP | 3.2078 |
| CLogS | -5.707 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 288.89 |
| Relative PSA | 0.37668 |
| PolarSurfaceArea | 130.56 |
| Druglikeness | 3.2129 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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