3-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
Formula:C26H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid is a drug-like molecule.
| MolName | 3-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid |
| MolecularFormula | C26H19N3O4S |
| Smiles | OC(c1cccc(-n2c(/C=C(\C(N3Cc4ccco4)=O)/S/C3=N\c3ccccc3)ccc2)c1)=O |
| InChI | InChI=1S/C26H19N3O4S/c30-24-23(16-21-11-5-13-28(21)20-10-4-7-18(15-20)25(31)32)34-26(27-19-8-2-1-3-9-19)29(24)17-22-12-6-14-33-22/h1-16H,17H2,(H,31,32) |
| InChIK | PHJZUCMCXCKLDH-UHFFFAOYSA-N |
| TotalMolweight | 469.52 |
| Molweight | 469.52 |
| MonoisotopicMass | 469.109627 |
| CLogP | 3.5136 |
| CLogS | -7.36 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 349.01 |
| Relative PSA | 0.26564 |
| PolarSurfaceArea | 113.34 |
| Druglikeness | 4.3807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid | 2 - 3-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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