N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanehydrazide
Formula:C22H17N4O3ClS4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanehydrazide is not a drug-like molecule.
| MolName | N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanehydrazide |
| MolecularFormula | C22H17N4O3ClS4 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)NNC(CSc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C22H17ClN4O3S4/c23-14-6-2-1-5-13(14)11-17-20(30)27(22(31)34-17)10-9-18(28)25-26-19(29)12-32-21-24-15-7-3-4-8-16(15)33-21/h1-8,11H,9-10,12H2,(H,25,28)(H,26,29) |
| InChIK | HUMUKCLUOWUQLN-UHFFFAOYSA-N |
| TotalMolweight | 549.119 |
| Molweight | 549.119 |
| MonoisotopicMass | 547.987198 |
| CLogP | 2.7751 |
| CLogS | -6.978 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 384.39 |
| Relative PSA | 0.41598 |
| PolarSurfaceArea | 202.33 |
| Druglikeness | 5.6621 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanehydrazide | 2 - N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanehydrazide
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