N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
Formula:C16H18N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C16H18N3O3Br |
| Smiles | C#CCOc(ccc(/C=N\NC(CN1CCOCC1)=O)c1)c1Br |
| InChI | InChI=1S/C16H18BrN3O3/c1-2-7-23-15-4-3-13(10-14(15)17)11-18-19-16(21)12-20-5-8-22-9-6-20/h1,3-4,10-11H,5-9,12H2,(H,19,21) |
| InChIK | QRZMTYANTXOZCD-UHFFFAOYSA-N |
| TotalMolweight | 380.241 |
| Molweight | 380.241 |
| MonoisotopicMass | 379.053153 |
| CLogP | 1.7027 |
| CLogS | -3.217 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.03 |
| Relative PSA | 0.22139 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 3.6568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide | 2 - N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
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