4-fluoro-N'-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide
Formula:C18H14N3O3FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N'-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide is a drug-like molecule.
| MolName | 4-fluoro-N'-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide |
| MolecularFormula | C18H14N3O3FS3 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NNC(c(cc1)ccc1F)=O |
| InChI | InChI=1S/C18H14FN3O3S3/c19-12-5-3-11(4-6-12)16(24)21-20-15(23)7-8-22-17(25)14(28-18(22)26)10-13-2-1-9-27-13/h1-6,9-10H,7-8H2,(H,20,23)(H,21,24) |
| InChIK | BPGRZMGVYJXVMM-UHFFFAOYSA-N |
| TotalMolweight | 435.523 |
| Molweight | 435.523 |
| MonoisotopicMass | 435.01813 |
| CLogP | 1.4218 |
| CLogS | -5.188 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.71 |
| Relative PSA | 0.42303 |
| PolarSurfaceArea | 164.14 |
| Druglikeness | 4.5128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-fluoro-N'-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide | 2 - 4-fluoro-N'-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide
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