N'-[2-(2,4-dichlorophenoxy)acetyl]-4-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide
Formula:C22H17N3O4Cl4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide is not a drug-like molecule.
| MolName | N'-[2-(2,4-dichlorophenoxy)acetyl]-4-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide |
| MolecularFormula | C22H17N3O4Cl4S2 |
| Smiles | O=C(CCCN(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=S)NNC(COc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C22H17Cl4N3O4S2/c23-13-4-3-12(15(25)9-13)8-18-21(32)29(22(34)35-18)7-1-2-19(30)27-28-20(31)11-33-17-6-5-14(24)10-16(17)26/h3-6,8-10H,1-2,7,11H2,(H,27,30)(H,28,31) |
| InChIK | NOGQRNKZOCCKPD-UHFFFAOYSA-N |
| TotalMolweight | 593.338 |
| Molweight | 593.338 |
| MonoisotopicMass | 590.941455 |
| CLogP | 3.9077 |
| CLogS | -7.858 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 407.62 |
| Relative PSA | 0.29704 |
| PolarSurfaceArea | 145.13 |
| Druglikeness | 4.4932 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - N'-[2-(2,4-dichlorophenoxy)acetyl]-4-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide | 2 - N'-[2-(2,4-dichlorophenoxy)acetyl]-4-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide
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