(5Z)-5-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10NO2Br3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10NO2Br3S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2Br)cc(Br)c2OCc(cc2)ccc2Br)NC1=S |
| InChI | InChI=1S/C17H10Br3NO2S2/c18-11-3-1-9(2-4-11)8-23-15-12(19)5-10(6-13(15)20)7-14-16(22)21-17(24)25-14/h1-7H,8H2,(H,21,22,24) |
| InChIK | HLXMGNQYMLOBHG-UHFFFAOYSA-N |
| TotalMolweight | 564.115 |
| Molweight | 564.115 |
| MonoisotopicMass | 560.770302 |
| CLogP | 4.6679 |
| CLogS | -7.343 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 303.29 |
| Relative PSA | 0.26374 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 0.38204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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