2-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
Formula:C28H20N2O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 2-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C28H20N2O4S |
| Smiles | OC(c(cccc1)c1-c1ccc(/C=C(\C(N2Cc3ccccc3)=O)/S/C2=N\c2ccccc2)o1)=O |
| InChI | InChI=1S/C28H20N2O4S/c31-26-25(17-21-15-16-24(34-21)22-13-7-8-14-23(22)27(32)33)35-28(29-20-11-5-2-6-12-20)30(26)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,32,33) |
| InChIK | CUZYQIPEPDHBAI-UHFFFAOYSA-N |
| TotalMolweight | 480.543 |
| Molweight | 480.543 |
| MonoisotopicMass | 480.114378 |
| CLogP | 5.0249 |
| CLogS | -6.801 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.81 |
| Relative PSA | 0.23857 |
| PolarSurfaceArea | 108.41 |
| Druglikeness | 5.2718 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 2-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
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