(2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
Formula:C18H19N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide |
| MolecularFormula | C18H19N4O2Br |
| Smiles | O=C([C@@H](c1ccncc1)N1CCOCC1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H19BrN4O2/c19-16-3-1-14(2-4-16)13-21-22-18(24)17(15-5-7-20-8-6-15)23-9-11-25-12-10-23/h1-8,13,17H,9-12H2,(H,22,24)/t17-/m1/s1 |
| InChIK | JYTUJZQKOVTWIY-QGZVFWFLSA-N |
| TotalMolweight | 403.279 |
| Molweight | 403.279 |
| MonoisotopicMass | 402.069137 |
| CLogP | 2.0431 |
| CLogS | -2.874 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.72 |
| Relative PSA | 0.21717 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 4.5618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide | 2 - (2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
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