2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H14N3O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H14N3O3F3S |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c2c(C(F)(F)F)cccc2)=O)cc1)=O |
| InChI | InChI=1S/C17H14F3N3O3S/c18-17(19,20)15-4-2-1-3-13(15)9-21-22-16(24)11-27-10-12-5-7-14(8-6-12)23(25)26/h1-9H,10-11H2,(H,22,24) |
| InChIK | YNJAVCOJZAMVLS-UHFFFAOYSA-N |
| TotalMolweight | 397.376 |
| Molweight | 397.376 |
| MonoisotopicMass | 397.070796 |
| CLogP | 3.3179 |
| CLogS | -5.745 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.13 |
| Relative PSA | 0.29432 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -7.654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off