(5E)-3-(4-bromophenyl)-5-(furan-2-ylmethylidene)-2-phenyl-1,3-thiazolidin-4-one
Formula:C20H14NO2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(4-bromophenyl)-5-(furan-2-ylmethylidene)-2-phenyl-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(4-bromophenyl)-5-(furan-2-ylmethylidene)-2-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C20H14NO2BrS |
| Smiles | O=C(/C(/SC1c2ccccc2)=C\c2ccco2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C20H14BrNO2S/c21-15-8-10-16(11-9-15)22-19(23)18(13-17-7-4-12-24-17)25-20(22)14-5-2-1-3-6-14/h1-13,20H/t20-/m0/s1 |
| InChIK | ADGLWBLYROBOEF-FQEVSTJZSA-N |
| TotalMolweight | 412.306 |
| Molweight | 412.306 |
| MonoisotopicMass | 410.99286 |
| CLogP | 4.7802 |
| CLogS | -5.792 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.35 |
| Relative PSA | 0.17825 |
| PolarSurfaceArea | 58.75 |
| Druglikeness | 1.1141 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-3-(4-bromophenyl)-5-(furan-2-ylmethylidene)-2-phenyl-1,3-thiazolidin-4-one | 2 - (5E)-3-(4-bromophenyl)-5-(furan-2-ylmethylidene)-2-phenyl-1,3-thiazolidin-4-one
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