2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H14N2OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H14N2OClF3S |
| Smiles | O=C(CSCc(cccc1)c1Cl)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H14ClF3N2OS/c18-15-7-2-1-5-13(15)10-25-11-16(24)23-22-9-12-4-3-6-14(8-12)17(19,20)21/h1-9H,10-11H2,(H,23,24) |
| InChIK | FJMHTBGMBYSRKP-UHFFFAOYSA-N |
| TotalMolweight | 386.824 |
| Molweight | 386.824 |
| MonoisotopicMass | 386.046744 |
| CLogP | 4.8455 |
| CLogS | -6.021 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 276.88 |
| Relative PSA | 0.19322 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -2.4954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| 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 |
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