(E)-3-(4-fluorophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide
Formula:C19H18N3O2FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(4-fluorophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide |
| MolecularFormula | C19H18N3O2FS |
| Smiles | O=C(CCc1ccccc1)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S |
| InChI | InChI=1S/C19H18FN3O2S/c20-16-10-6-15(7-11-16)8-12-17(24)21-19(26)23-22-18(25)13-9-14-4-2-1-3-5-14/h1-8,10-12H,9,13H2,(H,22,25)(H2,21,23,24,26) |
| InChIK | VXLHAJGDFSZHCF-UHFFFAOYSA-N |
| TotalMolweight | 371.435 |
| Molweight | 371.435 |
| MonoisotopicMass | 371.110375 |
| CLogP | 2.6825 |
| CLogS | -4.774 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 295.98 |
| Relative PSA | 0.29887 |
| PolarSurfaceArea | 102.32 |
| Druglikeness | -1.2711 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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