N-[(Z)-(2,4-dibromophenyl)methylideneamino]-2-(1-thiophen-2-ylethenylamino)oxyacetamide
Formula:C15H13N3O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromophenyl)methylideneamino]-2-(1-thiophen-2-ylethenylamino)oxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromophenyl)methylideneamino]-2-(1-thiophen-2-ylethenylamino)oxyacetamide |
| MolecularFormula | C15H13N3O2Br2S |
| Smiles | C=C(c1cccs1)NOCC(N/N=C\c(ccc(Br)c1)c1Br)=O |
| InChI | InChI=1S/C15H13Br2N3O2S/c1-10(14-3-2-6-23-14)20-22-9-15(21)19-18-8-11-4-5-12(16)7-13(11)17/h2-8,20H,1,9H2,(H,19,21) |
| InChIK | IUPOTGSWDLIXBK-UHFFFAOYSA-N |
| TotalMolweight | 459.161 |
| Molweight | 459.161 |
| MonoisotopicMass | 456.909519 |
| CLogP | 3.8502 |
| CLogS | -5.778 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.16 |
| Relative PSA | 0.2798 |
| PolarSurfaceArea | 90.96 |
| Druglikeness | 1.6386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(Z)-(2,4-dibromophenyl)methylideneamino]-2-(1-thiophen-2-ylethenylamino)oxyacetamide | 2 - N-[(Z)-(2,4-dibromophenyl)methylideneamino]-2-(1-thiophen-2-ylethenylamino)oxyacetamide
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