2-(azepan-1-yl)-2-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-2-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-2-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H17N3O2S |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H17N3O2S/c17-12(15-14-10-11-6-5-9-19-11)13(18)16-7-3-1-2-4-8-16/h5-6,9-10H,1-4,7-8H2,(H,15,17) |
| InChIK | ZUNUPNCQVAIXSJ-UHFFFAOYSA-N |
| TotalMolweight | 279.363 |
| Molweight | 279.363 |
| MonoisotopicMass | 279.104147 |
| CLogP | 2.0433 |
| CLogS | -2.892 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.28 |
| Relative PSA | 0.33121 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 2.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-(azepan-1-yl)-2-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(azepan-1-yl)-2-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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