| MolName | N,N'-bis[(Z)-(5-bromothiophen-2-yl)methylideneamino]pentanediamide |
| MolecularFormula | C15H14N4O2Br2S2 |
| Smiles | O=C(CCCC(N/N=C\c(s1)ccc1Br)=O)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C15H14Br2N4O2S2/c16-12-6-4-10(24-12)8-18-20-14(22)2-1-3-15(23)21-19-9-11-5-7-13(17)25-11/h4-9H,1-3H2,(H,20,22)(H,21,23) |
| InChIK | KMPPHQYZQHUIKI-UHFFFAOYSA-N |
| TotalMolweight | 506.242 |
| Molweight | 506.242 |
| MonoisotopicMass | 503.892488 |
| CLogP | 5.4946 |
| CLogS | -6.65 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 311.38 |
| Relative PSA | 0.36207 |
| PolarSurfaceArea | 139.4 |
| Druglikeness | -3.3401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - N,N'-bis[(Z)-(5-bromothiophen-2-yl)methylideneamino]pentanediamide | 2 - N,N'-bis[(Z)-(5-bromothiophen-2-yl)methylideneamino]pentanediamide