N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]pyridine-3-carbohydrazide
Formula:C20H20N4O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]pyridine-3-carbohydrazide is a drug-like molecule.
| MolName | N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]pyridine-3-carbohydrazide |
| MolecularFormula | C20H20N4O3S3 |
| Smiles | O=C(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)NNC(c1cnccc1)=O |
| InChI | InChI=1S/C20H20N4O3S3/c25-17(22-23-18(26)14-6-4-9-21-13-14)8-2-1-3-10-24-19(27)16(30-20(24)28)12-15-7-5-11-29-15/h4-7,9,11-13H,1-3,8,10H2,(H,22,25)(H,23,26) |
| InChIK | SPJIDULQRMKMKW-UHFFFAOYSA-N |
| TotalMolweight | 460.602 |
| Molweight | 460.602 |
| MonoisotopicMass | 460.069751 |
| CLogP | 1.6833 |
| CLogS | -4.889 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 344.4 |
| Relative PSA | 0.4135 |
| PolarSurfaceArea | 177.03 |
| Druglikeness | -2.4311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]pyridine-3-carbohydrazide | 2 - N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]pyridine-3-carbohydrazide
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