2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Formula:C19H17N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C19H17N3O5S |
| Smiles | COc1ccc(/C=N\N=C(\N2c(cc3)ccc3O)/S[C@H](CC(O)=O)C2=O)cc1 |
| InChI | InChI=1S/C19H17N3O5S/c1-27-15-8-2-12(3-9-15)11-20-21-19-22(13-4-6-14(23)7-5-13)18(26)16(28-19)10-17(24)25/h2-9,11,16,23H,10H2,1H3,(H,24,25)/t16-/m1/s1 |
| InChIK | TUXQJGHLHDZSOD-MRXNPFEDSA-N |
| TotalMolweight | 399.426 |
| Molweight | 399.426 |
| MonoisotopicMass | 399.088892 |
| CLogP | 3.7513 |
| CLogS | -4.657 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 291.76 |
| Relative PSA | 0.36448 |
| PolarSurfaceArea | 137.09 |
| Druglikeness | 6.0604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
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