(4E)-3-methylidene-5-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolidine-1-carbothioamide
Formula:C15H18N6O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-3-methylidene-5-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolidine-1-carbothioamide is a drug-like molecule.
| MolName | (4E)-3-methylidene-5-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolidine-1-carbothioamide |
| MolecularFormula | C15H18N6O3S2 |
| Smiles | C=C(/C1=N\Nc(cc2)ccc2S(N2CCCC2)(=O)=O)NN(C(N)=S)C1=O |
| InChI | InChI=1S/C15H18N6O3S2/c1-10-13(14(22)21(19-10)15(16)25)18-17-11-4-6-12(7-5-11)26(23,24)20-8-2-3-9-20/h4-7,17,19H,1-3,8-9H2,(H2,16,25) |
| InChIK | KZXOUVUUVQTBJC-UHFFFAOYSA-N |
| TotalMolweight | 394.479 |
| Molweight | 394.479 |
| MonoisotopicMass | 394.088179 |
| CLogP | 0.9275 |
| CLogS | -2.261 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 278.1 |
| Relative PSA | 0.45458 |
| PolarSurfaceArea | 160.6 |
| Druglikeness | 3.1246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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