(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H19N2O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H19N2O2FS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2F)N(CCCN2CCOCC2)C1=S |
| InChI | InChI=1S/C17H19FN2O2S2/c18-14-4-2-13(3-5-14)12-15-16(21)20(17(23)24-15)7-1-6-19-8-10-22-11-9-19/h2-5,12H,1,6-11H2 |
| InChIK | RQBDEYGOMWLEJZ-UHFFFAOYSA-N |
| TotalMolweight | 366.48 |
| Molweight | 366.48 |
| MonoisotopicMass | 366.087196 |
| CLogP | 1.6211 |
| CLogS | -3.212 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.19 |
| Relative PSA | 0.27786 |
| PolarSurfaceArea | 90.17 |
| Druglikeness | 2.9968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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