2-[2-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Formula:C24H18N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C24H18N2O4S |
| Smiles | OC(COc1c(/C=C(\C(N2c3ccccc3)=O)/S/C2=N\c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C24H18N2O4S/c27-22(28)16-30-20-14-8-7-9-17(20)15-21-23(29)26(19-12-5-2-6-13-19)24(31-21)25-18-10-3-1-4-11-18/h1-15H,16H2,(H,27,28) |
| InChIK | QORPWBHASHWDAW-UHFFFAOYSA-N |
| TotalMolweight | 430.483 |
| Molweight | 430.483 |
| MonoisotopicMass | 430.098728 |
| CLogP | 3.738 |
| CLogS | -5.643 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.36 |
| Relative PSA | 0.25512 |
| PolarSurfaceArea | 104.5 |
| Druglikeness | 3.5006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
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