2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide
Formula:C16H8N3OF5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H8N3OF5S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C16H8F5N3OS2/c17-11-7(12(18)14(20)15(21)13(11)19)5-22-24-10(25)6-26-16-23-8-3-1-2-4-9(8)27-16/h1-5H,6H2,(H,24,25) |
| InChIK | WIOIZWQKUDGHSZ-UHFFFAOYSA-N |
| TotalMolweight | 417.382 |
| Molweight | 417.382 |
| MonoisotopicMass | 417.002892 |
| CLogP | 4.4203 |
| CLogS | -6.669 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.29 |
| Relative PSA | 0.30373 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 3.4528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide
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