N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide
Formula:C20H16N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide is a drug-like molecule.
| MolName | N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide |
| MolecularFormula | C20H16N4O5S2 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)NNC(c1cnccc1)=O |
| InChI | InChI=1S/C20H16N4O5S2/c25-17(22-23-18(26)13-2-1-6-21-10-13)5-7-24-19(27)16(31-20(24)30)9-12-3-4-14-15(8-12)29-11-28-14/h1-4,6,8-10H,5,7,11H2,(H,22,25)(H,23,26) |
| InChIK | WFSVLRMZGUCOCN-UHFFFAOYSA-N |
| TotalMolweight | 456.502 |
| Molweight | 456.502 |
| MonoisotopicMass | 456.056211 |
| CLogP | 0.5649 |
| CLogS | -4.78 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 327.44 |
| Relative PSA | 0.43382 |
| PolarSurfaceArea | 167.25 |
| Druglikeness | 5.3343 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide | 2 - N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide
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