(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9NOBr2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9NOBr2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)ccc2Br)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C16H9Br2NOS2/c17-11-3-1-10(2-4-11)9-14-15(20)19(16(21)22-14)13-7-5-12(18)6-8-13/h1-9H |
| InChIK | JWBBOAHKQRJHEK-UHFFFAOYSA-N |
| TotalMolweight | 455.193 |
| Molweight | 455.193 |
| MonoisotopicMass | 452.849226 |
| CLogP | 4.3427 |
| CLogS | -6.651 |
| H Acceptors | 2 |
| TotalSurfaceArea | 259.74 |
| Relative PSA | 0.23901 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 0.97696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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