3-bromo-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C14H12N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C14H12N3O2BrS |
| Smiles | O=C(CNC(c1cccc(Br)c1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H12BrN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19) |
| InChIK | VZMPGCOPEUQAEN-UHFFFAOYSA-N |
| TotalMolweight | 366.238 |
| Molweight | 366.238 |
| MonoisotopicMass | 364.983358 |
| CLogP | 2.8771 |
| CLogS | -4.332 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 244.53 |
| Relative PSA | 0.33072 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.0549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 3-bromo-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide | 2 - 3-bromo-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
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