N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
Formula:C21H21N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide |
| MolecularFormula | C21H21N4O5Br |
| Smiles | [O-][N+](c(cc(/C=N\NC(CNC(COc1cc(CCCC2)c2cc1)=O)=O)cc1)c1Br)=O |
| InChI | InChI=1S/C21H21BrN4O5/c22-18-8-5-14(9-19(18)26(29)30)11-24-25-20(27)12-23-21(28)13-31-17-7-6-15-3-1-2-4-16(15)10-17/h5-11H,1-4,12-13H2,(H,23,28)(H,25,27) |
| InChIK | OAROAQXLOPNKIM-UHFFFAOYSA-N |
| TotalMolweight | 489.325 |
| Molweight | 489.325 |
| MonoisotopicMass | 488.069532 |
| CLogP | 2.8206 |
| CLogS | -5.654 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 337.56 |
| Relative PSA | 0.299 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -6.9888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide | 2 - N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
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