| MolName | N'-[(Z)-(3-fluorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C17H12N5O2FS |
| Smiles | O=C(C(N/N=C\c1cc(F)ccc1)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C17H12FN5O2S/c18-13-8-4-5-11(9-13)10-19-21-15(25)14(24)20-17-23-22-16(26-17)12-6-2-1-3-7-12/h1-10H,(H,21,25)(H,20,23,24) |
| InChIK | HVABZTBNZQPOHY-UHFFFAOYSA-N |
| TotalMolweight | 369.379 |
| Molweight | 369.379 |
| MonoisotopicMass | 369.069573 |
| CLogP | 2.9127 |
| CLogS | -4.343 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 275.77 |
| Relative PSA | 0.37281 |
| PolarSurfaceArea | 124.58 |
| Druglikeness | 3.7811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N'-[(Z)-(3-fluorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide | 2 - N'-[(Z)-(3-fluorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide