N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide
Formula:C13H10N3OBr3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide |
| MolecularFormula | C13H10N3OBr3S |
| Smiles | O=C(CNc(c(Br)cc(Br)c1)c1Br)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H10Br3N3OS/c14-8-4-10(15)13(11(16)5-8)17-7-12(20)19-18-6-9-2-1-3-21-9/h1-6,17H,7H2,(H,19,20) |
| InChIK | SKIPKNLOGQCYJQ-UHFFFAOYSA-N |
| TotalMolweight | 496.02 |
| Molweight | 496.02 |
| MonoisotopicMass | 492.809465 |
| CLogP | 4.5357 |
| CLogS | -6.055 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.04 |
| Relative PSA | 0.25689 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | 4.7442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off