2-benzylsulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H15N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H15N2OF3S |
| Smiles | O=C(CSCc1ccccc1)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H15F3N2OS/c18-17(19,20)15-8-4-7-14(9-15)10-21-22-16(23)12-24-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,23) |
| InChIK | KOJCAWUMEWXKFZ-UHFFFAOYSA-N |
| TotalMolweight | 352.379 |
| Molweight | 352.379 |
| MonoisotopicMass | 352.085717 |
| CLogP | 4.2395 |
| CLogS | -5.285 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.46 |
| Relative PSA | 0.20462 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -2.5215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-benzylsulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-benzylsulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
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