2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate
Formula:C18H14N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate is a drug-like molecule.
| MolName | 2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate |
| MolecularFormula | C18H14N3O4S |
| Smiles | [O-]C(C[C@H](C(N1c(cc2)ccc2O)=O)S/C1=N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C18H15N3O4S/c22-14-8-6-13(7-9-14)21-17(25)15(10-16(23)24)26-18(21)20-19-11-12-4-2-1-3-5-12/h1-9,11,15,22H,10H2,(H,23,24)/p-1/t15-/m1/s1 |
| InChIK | ZFXSHIOAVVLRMG-OAHLLOKOSA-M |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.070502 |
| CLogP | 1.7453 |
| CLogS | -4.639 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 270.68 |
| Relative PSA | 0.36028 |
| PolarSurfaceArea | 130.69 |
| Druglikeness | 6.1142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate | 2 - 2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate
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