(E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
Formula:C20H14N2OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C20H14N2OCl2S |
| Smiles | O=C(/C=C/c1cccc2ccccc12)NC(Nc(ccc(Cl)c1)c1Cl)=S |
| InChI | InChI=1S/C20H14Cl2N2OS/c21-15-9-10-18(17(22)12-15)23-20(26)24-19(25)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H,(H2,23,24,25,26) |
| InChIK | BLWMZXWYLXGPIY-UHFFFAOYSA-N |
| TotalMolweight | 401.316 |
| Molweight | 401.316 |
| MonoisotopicMass | 400.020387 |
| CLogP | 5.7251 |
| CLogS | -7.121 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 298.34 |
| Relative PSA | 0.21439 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -0.4708 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
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