2-(azepan-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxoacetamide
Formula:C15H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxoacetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxoacetamide |
| MolecularFormula | C15H19N3O3 |
| Smiles | Oc1cccc(/C=N\NC(C(N2CCCCCC2)=O)=O)c1 |
| InChI | InChI=1S/C15H19N3O3/c19-13-7-5-6-12(10-13)11-16-17-14(20)15(21)18-8-3-1-2-4-9-18/h5-7,10-11,19H,1-4,8-9H2,(H,17,20) |
| InChIK | ZVLNSDXAOCZFQW-UHFFFAOYSA-N |
| TotalMolweight | 289.334 |
| Molweight | 289.334 |
| MonoisotopicMass | 289.142642 |
| CLogP | 1.831 |
| CLogS | -2.586 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 230.69 |
| Relative PSA | 0.2848 |
| PolarSurfaceArea | 82 |
| Druglikeness | 1.0229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-(azepan-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxoacetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxoacetamide
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