(E)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide
Formula:C16H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C16H15N3O2S |
| Smiles | O=C(CNC(/C=C/c1ccccc1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H15N3O2S/c20-15(9-8-13-5-2-1-3-6-13)17-12-16(21)19-18-11-14-7-4-10-22-14/h1-11H,12H2,(H,17,20)(H,19,21) |
| InChIK | XNNDSAKJKQXNJR-UHFFFAOYSA-N |
| TotalMolweight | 313.38 |
| Molweight | 313.38 |
| MonoisotopicMass | 313.088497 |
| CLogP | 2.4811 |
| CLogS | -3.868 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.4 |
| Relative PSA | 0.3204 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.4365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide
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