2-(azepan-1-yl)-2-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C22H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-2-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-2-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H25N3O3 |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H25N3O3/c26-21(22(27)25-13-6-1-2-7-14-25)24-23-16-19-11-8-12-20(15-19)28-17-18-9-4-3-5-10-18/h3-5,8-12,15-16H,1-2,6-7,13-14,17H2,(H,24,26) |
| InChIK | FTMCNWAAJNOYHZ-UHFFFAOYSA-N |
| TotalMolweight | 379.459 |
| Molweight | 379.459 |
| MonoisotopicMass | 379.189592 |
| CLogP | 3.5248 |
| CLogS | -4.223 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.86 |
| Relative PSA | 0.20334 |
| PolarSurfaceArea | 71 |
| Druglikeness | 0.73308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-(azepan-1-yl)-2-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(azepan-1-yl)-2-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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