(5Z)-3-[(4-bromoanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H13N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-[(4-bromoanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-bromoanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H13N2O3BrS |
| Smiles | Oc1ccc(/C=C(/C(N2CNc(cc3)ccc3Br)=O)\SC2=O)cc1 |
| InChI | InChI=1S/C17H13BrN2O3S/c18-12-3-5-13(6-4-12)19-10-20-16(22)15(24-17(20)23)9-11-1-7-14(21)8-2-11/h1-9,19,21H,10H2 |
| InChIK | BYIKGHGICQPBOH-UHFFFAOYSA-N |
| TotalMolweight | 405.271 |
| Molweight | 405.271 |
| MonoisotopicMass | 403.983024 |
| CLogP | 3.2832 |
| CLogS | -5.146 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.72 |
| Relative PSA | 0.27813 |
| PolarSurfaceArea | 94.94 |
| Druglikeness | 1.9937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-bromoanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-bromoanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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