(2R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
Formula:C18H18N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide |
| MolecularFormula | C18H18N4O2Cl2 |
| Smiles | O=C([C@@H](c1ccncc1)N1CCOCC1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H18Cl2N4O2/c19-15-2-1-14(16(20)11-15)12-22-23-18(25)17(13-3-5-21-6-4-13)24-7-9-26-10-8-24/h1-6,11-12,17H,7-10H2,(H,23,25)/t17-/m1/s1 |
| InChIK | NIZSRAWIJMUYEX-QGZVFWFLSA-N |
| TotalMolweight | 393.273 |
| Molweight | 393.273 |
| MonoisotopicMass | 392.08068 |
| CLogP | 2.5299 |
| CLogS | -3.512 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.93 |
| Relative PSA | 0.20806 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 6.3706 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide | 2 - (2R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
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