2-(2-bromophenoxy)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
Formula:C19H19N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bromophenoxy)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromophenoxy)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H19N4O5Br |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(COc(cccc2)c2Br)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H19BrN4O5/c20-16-3-1-2-4-18(16)29-13-19(25)22-21-12-14-11-15(24(26)27)5-6-17(14)23-7-9-28-10-8-23/h1-6,11-12H,7-10,13H2,(H,22,25) |
| InChIK | QDDYECDXOJHICT-UHFFFAOYSA-N |
| TotalMolweight | 463.287 |
| Molweight | 463.287 |
| MonoisotopicMass | 462.053882 |
| CLogP | 2.2491 |
| CLogS | -4.898 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 314.89 |
| Relative PSA | 0.28575 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | -1.6274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-bromophenoxy)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2-bromophenoxy)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
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