(5Z)-3-[(2-bromoanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H11N2OBrCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-bromoanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(2-bromoanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11N2OBrCl2S2 |
| Smiles | O=C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)N(CNc(cccc2)c2Br)C1=S |
| InChI | InChI=1S/C17H11BrCl2N2OS2/c18-11-4-1-2-7-14(11)21-9-22-16(23)15(25-17(22)24)8-10-12(19)5-3-6-13(10)20/h1-8,21H,9H2 |
| InChIK | YLGPYOPAERXEQN-UHFFFAOYSA-N |
| TotalMolweight | 474.229 |
| Molweight | 474.229 |
| MonoisotopicMass | 471.887318 |
| CLogP | 4.4957 |
| CLogS | -7.265 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 297.17 |
| Relative PSA | 0.24747 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 1.5952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.56 |
| 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 | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(2-bromoanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(2-bromoanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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