N-[(E)-3-oxo-1-thiophen-2-yl-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
Formula:C19H15N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-oxo-1-thiophen-2-yl-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-oxo-1-thiophen-2-yl-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide |
| MolecularFormula | C19H15N3O2S2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C19H15N3O2S2/c23-18(14-6-2-1-3-7-14)21-17(12-15-8-4-10-25-15)19(24)22-20-13-16-9-5-11-26-16/h1-13H,(H,21,23)(H,22,24) |
| InChIK | JSMJMHYHKRLCQP-UHFFFAOYSA-N |
| TotalMolweight | 381.479 |
| Molweight | 381.479 |
| MonoisotopicMass | 381.060567 |
| CLogP | 4.5515 |
| CLogS | -5.486 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 292.55 |
| Relative PSA | 0.34603 |
| PolarSurfaceArea | 127.04 |
| Druglikeness | 7.5837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-3-oxo-1-thiophen-2-yl-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(E)-3-oxo-1-thiophen-2-yl-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
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