(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)carbamothioyl]prop-2-enamide
Formula:C20H16N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)carbamothioyl]prop-2-enamide |
| MolecularFormula | C20H16N2O3S |
| Smiles | O=C(/C=C/c1ccco1)NC(Nc(cc1)ccc1Oc1ccccc1)=S |
| InChI | InChI=1S/C20H16N2O3S/c23-19(13-12-16-7-4-14-24-16)22-20(26)21-15-8-10-18(11-9-15)25-17-5-2-1-3-6-17/h1-14H,(H2,21,22,23,26) |
| InChIK | SQTDXYIVPBNKNA-UHFFFAOYSA-N |
| TotalMolweight | 364.424 |
| Molweight | 364.424 |
| MonoisotopicMass | 364.088163 |
| CLogP | 3.903 |
| CLogS | -6.022 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 292.35 |
| Relative PSA | 0.30125 |
| PolarSurfaceArea | 95.59 |
| Druglikeness | -0.26434 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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