2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H14N2OBrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H14N2OBrF3S |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C17H14BrF3N2OS/c18-15-8-4-2-6-13(15)10-25-11-16(24)23-22-9-12-5-1-3-7-14(12)17(19,20)21/h1-9H,10-11H2,(H,23,24) |
| InChIK | RDIZNYVJPPDNHB-UHFFFAOYSA-N |
| TotalMolweight | 431.275 |
| Molweight | 431.275 |
| MonoisotopicMass | 429.996228 |
| CLogP | 4.9647 |
| CLogS | -6.119 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.09 |
| Relative PSA | 0.19101 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -4.3115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off