2-(azepan-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
Formula:C13H19N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide |
| MolecularFormula | C13H19N3OS |
| Smiles | O=C(CN1CCCCCC1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C13H19N3OS/c17-13(10-16-6-3-1-2-4-7-16)15-14-9-12-5-8-18-11-12/h5,8-9,11H,1-4,6-7,10H2,(H,15,17) |
| InChIK | KHNVXPFERFCFGS-UHFFFAOYSA-N |
| TotalMolweight | 265.38 |
| Molweight | 265.38 |
| MonoisotopicMass | 265.124882 |
| CLogP | 2.3107 |
| CLogS | -2.8 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.29 |
| Relative PSA | 0.27704 |
| PolarSurfaceArea | 72.94 |
| Druglikeness | 2.3801 |
| 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 | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(azepan-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
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