3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
Formula:C20H24N3O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is a drug-like molecule.
| MolName | 3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide |
| MolecularFormula | C20H24N3O3BrS2 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c2cccc(Br)c2)=O)C1=S)NCCCN1CCOCC1 |
| InChI | InChI=1S/C20H24BrN3O3S2/c21-16-4-1-3-15(13-16)14-17-19(26)24(20(28)29-17)8-5-18(25)22-6-2-7-23-9-11-27-12-10-23/h1,3-4,13-14H,2,5-12H2,(H,22,25) |
| InChIK | STEMTRWMAGVYNW-UHFFFAOYSA-N |
| TotalMolweight | 498.465 |
| Molweight | 498.465 |
| MonoisotopicMass | 497.044243 |
| CLogP | 1.7836 |
| CLogS | -3.769 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 341.2 |
| Relative PSA | 0.29346 |
| PolarSurfaceArea | 119.27 |
| Druglikeness | 3.2561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide | 2 - 3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
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