2-(2,4-dibromoanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H11N3OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(2,4-dibromoanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dibromoanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H11N3OBr2S |
| Smiles | O=C(CNc(ccc(Br)c1)c1Br)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H11Br2N3OS/c14-9-3-4-12(11(15)6-9)16-8-13(19)18-17-7-10-2-1-5-20-10/h1-7,16H,8H2,(H,18,19) |
| InChIK | QOQXTFCQKONVEF-UHFFFAOYSA-N |
| TotalMolweight | 417.124 |
| Molweight | 417.124 |
| MonoisotopicMass | 414.898954 |
| CLogP | 3.8105 |
| CLogS | -5.221 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 245.41 |
| Relative PSA | 0.27639 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | 4.7442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2,4-dibromoanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(2,4-dibromoanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off