(5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12NO2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12NO2BrS2 |
| Smiles | O=C(/C(/S1)=C/c2cccc(OCc(cc3)ccc3Br)c2)NC1=S |
| InChI | InChI=1S/C17H12BrNO2S2/c18-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-15-16(20)19-17(22)23-15/h1-9H,10H2,(H,19,20,22) |
| InChIK | TUIARLAKNVBMSU-UHFFFAOYSA-N |
| TotalMolweight | 406.323 |
| Molweight | 406.323 |
| MonoisotopicMass | 404.94928 |
| CLogP | 3.2175 |
| CLogS | -5.675 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.03 |
| Relative PSA | 0.30068 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 0.38204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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