4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide
Formula:C21H26N3O3ClS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide is a drug-like molecule.
| MolName | 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide |
| MolecularFormula | C21H26N3O3ClS2 |
| Smiles | O=C(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)NCCCN1CCOCC1 |
| InChI | InChI=1S/C21H26ClN3O3S2/c22-17-6-2-1-5-16(17)15-18-20(27)25(21(29)30-18)10-3-7-19(26)23-8-4-9-24-11-13-28-14-12-24/h1-2,5-6,15H,3-4,7-14H2,(H,23,26) |
| InChIK | LPJNRCDQQFNWTI-UHFFFAOYSA-N |
| TotalMolweight | 468.04 |
| Molweight | 468.04 |
| MonoisotopicMass | 467.110409 |
| CLogP | 2.1188 |
| CLogS | -3.941 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 351.75 |
| Relative PSA | 0.28466 |
| PolarSurfaceArea | 119.27 |
| Druglikeness | 4.1637 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide | 2 - 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide
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