N-[(E)-(2-bromo-1-benzothiophen-3-yl)methylideneamino]-3-chlorobenzamide
Formula:C16H10N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-bromo-1-benzothiophen-3-yl)methylideneamino]-3-chlorobenzamide is not a drug-like molecule.
| MolName | N-[(E)-(2-bromo-1-benzothiophen-3-yl)methylideneamino]-3-chlorobenzamide |
| MolecularFormula | C16H10N2OBrClS |
| Smiles | O=C(c1cc(Cl)ccc1)N/N=C/c(c(cccc1)c1s1)c1Br |
| InChI | InChI=1S/C16H10BrClN2OS/c17-15-13(12-6-1-2-7-14(12)22-15)9-19-20-16(21)10-4-3-5-11(18)8-10/h1-9H,(H,20,21) |
| InChIK | QGBOPILZCJADLL-UHFFFAOYSA-N |
| TotalMolweight | 393.691 |
| Molweight | 393.691 |
| MonoisotopicMass | 391.938571 |
| CLogP | 5.5765 |
| CLogS | -6.547 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.58 |
| Relative PSA | 0.22406 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 1.6384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2-bromo-1-benzothiophen-3-yl)methylideneamino]-3-chlorobenzamide | 2 - N-[(E)-(2-bromo-1-benzothiophen-3-yl)methylideneamino]-3-chlorobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off