N'-[3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
Formula:C19H15N4O3BrS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide is a drug-like molecule.
| MolName | N'-[3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide |
| MolecularFormula | C19H15N4O3BrS2 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)NNC(c1ccncc1)=O |
| InChI | InChI=1S/C19H15BrN4O3S2/c20-14-3-1-2-12(10-14)11-15-18(27)24(19(28)29-15)9-6-16(25)22-23-17(26)13-4-7-21-8-5-13/h1-5,7-8,10-11H,6,9H2,(H,22,25)(H,23,26) |
| InChIK | JFSQKRNXZZILBA-UHFFFAOYSA-N |
| TotalMolweight | 491.389 |
| Molweight | 491.389 |
| MonoisotopicMass | 489.976892 |
| CLogP | 1.1787 |
| CLogS | -4.903 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 325.81 |
| Relative PSA | 0.3746 |
| PolarSurfaceArea | 148.79 |
| Druglikeness | 3.5875 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide | 2 - N'-[3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
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