2-(azepan-1-yl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-oxoacetamide
Formula:C19H26N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-oxoacetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-oxoacetamide |
| MolecularFormula | C19H26N4O3 |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H26N4O3/c24-18(19(25)23-9-3-1-2-4-10-23)21-20-15-16-5-7-17(8-6-16)22-11-13-26-14-12-22/h5-8,15H,1-4,9-14H2,(H,21,24) |
| InChIK | YYBXBMHMPYLVTF-UHFFFAOYSA-N |
| TotalMolweight | 358.44 |
| Molweight | 358.44 |
| MonoisotopicMass | 358.200491 |
| CLogP | 1.8457 |
| CLogS | -2.985 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 286.18 |
| Relative PSA | 0.23115 |
| PolarSurfaceArea | 74.24 |
| Druglikeness | -0.058617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(azepan-1-yl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-oxoacetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-oxoacetamide
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