(5Z)-5-[(4-bromophenyl)methylidene]-3-(pyridine-4-carbonyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromophenyl)methylidene]-3-(pyridine-4-carbonyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-3-(pyridine-4-carbonyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9N2O2BrS2 |
| Smiles | O=C(c1ccncc1)N(C(/C(/S1)=C/c(cc2)ccc2Br)=O)C1=S |
| InChI | InChI=1S/C16H9BrN2O2S2/c17-12-3-1-10(2-4-12)9-13-15(21)19(16(22)23-13)14(20)11-5-7-18-8-6-11/h1-9H |
| InChIK | LAFXZXTZZYEWRP-UHFFFAOYSA-N |
| TotalMolweight | 405.295 |
| Molweight | 405.295 |
| MonoisotopicMass | 403.928879 |
| CLogP | 2.6219 |
| CLogS | -4.629 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.62 |
| Relative PSA | 0.33417 |
| PolarSurfaceArea | 107.66 |
| Druglikeness | 0.97696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-3-(pyridine-4-carbonyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-3-(pyridine-4-carbonyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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