N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(2-phenylphenoxy)acetamide
Formula:C25H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(2-phenylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(2-phenylphenoxy)acetamide |
| MolecularFormula | C25H21N3O4S |
| Smiles | O=C(COc(cccc1)c1-c1ccccc1)NCCN(C(/C(/S1)=C\c2cnccc2)=O)C1=O |
| InChI | InChI=1S/C25H21N3O4S/c29-23(17-32-21-11-5-4-10-20(21)19-8-2-1-3-9-19)27-13-14-28-24(30)22(33-25(28)31)15-18-7-6-12-26-16-18/h1-12,15-16H,13-14,17H2,(H,27,29) |
| InChIK | VXICDBYJGXJOPA-UHFFFAOYSA-N |
| TotalMolweight | 459.525 |
| Molweight | 459.525 |
| MonoisotopicMass | 459.125277 |
| CLogP | 2.9093 |
| CLogS | -5.095 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 346.53 |
| Relative PSA | 0.26719 |
| PolarSurfaceArea | 113.9 |
| Druglikeness | 5.6676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(2-phenylphenoxy)acetamide | 2 - N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(2-phenylphenoxy)acetamide
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