N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
Formula:C16H20N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide |
| MolecularFormula | C16H20N4O3Cl2 |
| Smiles | O=C(C(N/N=C\c(c(Cl)ccc1)c1Cl)=O)NCCCN1CCOCC1 |
| InChI | InChI=1S/C16H20Cl2N4O3/c17-13-3-1-4-14(18)12(13)11-20-21-16(24)15(23)19-5-2-6-22-7-9-25-10-8-22/h1,3-4,11H,2,5-10H2,(H,19,23)(H,21,24) |
| InChIK | WMLKTVVJJSAFQD-UHFFFAOYSA-N |
| TotalMolweight | 387.266 |
| Molweight | 387.266 |
| MonoisotopicMass | 386.091245 |
| CLogP | 1.7704 |
| CLogS | -3.25 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 290.4 |
| Relative PSA | 0.25503 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 5.0019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide | 2 - N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
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