N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide
Formula:C23H19N4O3ClS4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide is not a drug-like molecule.
| MolName | N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide |
| MolecularFormula | C23H19N4O3ClS4 |
| Smiles | O=C(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)NNC(CSc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C23H19ClN4O3S4/c24-15-7-2-1-6-14(15)12-18-21(31)28(23(32)35-18)11-5-10-19(29)26-27-20(30)13-33-22-25-16-8-3-4-9-17(16)34-22/h1-4,6-9,12H,5,10-11,13H2,(H,26,29)(H,27,30) |
| InChIK | NLIWHNNIXGJWKO-UHFFFAOYSA-N |
| TotalMolweight | 563.146 |
| Molweight | 563.146 |
| MonoisotopicMass | 562.002848 |
| CLogP | 3.2295 |
| CLogS | -7.248 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 398.15 |
| Relative PSA | 0.40161 |
| PolarSurfaceArea | 202.33 |
| Druglikeness | 4.7155 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide | 2 - N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanehydrazide
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