2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
Formula:C17H12N3O4BrS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C17H12N3O4BrS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc(c2ccccc22)ccc2Br)=O)s1)=O |
| InChI | InChI=1S/C17H12BrN3O4S/c18-14-6-7-15(13-4-2-1-3-12(13)14)25-10-16(22)20-19-9-11-5-8-17(26-11)21(23)24/h1-9H,10H2,(H,20,22) |
| InChIK | WINFLSGAKLBJTB-UHFFFAOYSA-N |
| TotalMolweight | 434.269 |
| Molweight | 434.269 |
| MonoisotopicMass | 432.973188 |
| CLogP | 3.8307 |
| CLogS | -6.561 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 283.59 |
| Relative PSA | 0.3413 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | -1.4222 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
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