(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H16NO3BrS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H16NO3BrS2 |
| Smiles | O=C(/C(/S1)=C\c2ccc(-c(cc3)ccc3Br)o2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C19H16BrNO3S2/c20-13-5-3-12(4-6-13)16-8-7-14(24-16)10-17-18(22)21(19(25)26-17)11-15-2-1-9-23-15/h3-8,10,15H,1-2,9,11H2/t15-/m1/s1 |
| InChIK | CJZRPESTCOSZEY-OAHLLOKOSA-N |
| TotalMolweight | 450.376 |
| Molweight | 450.376 |
| MonoisotopicMass | 448.975495 |
| CLogP | 3.361 |
| CLogS | -6.117 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.84 |
| Relative PSA | 0.29233 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 1.766 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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