2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C22H17N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C22H17N4O4FS |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2CC(Nc(cccc3)c3F)=O)=O)\SC2=O)c1)=O |
| InChI | InChI=1S/C22H17FN4O4S/c23-15-6-2-3-7-16(15)25-20(29)12-27-21(30)18(32-22(27)31)9-13-10-26(11-19(24)28)17-8-4-1-5-14(13)17/h1-10H,11-12H2,(H2,24,28)(H,25,29) |
| InChIK | BAUBRINLCHMSIM-UHFFFAOYSA-N |
| TotalMolweight | 452.465 |
| Molweight | 452.465 |
| MonoisotopicMass | 452.095454 |
| CLogP | 1.3896 |
| CLogS | -4.119 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 320.67 |
| Relative PSA | 0.33305 |
| PolarSurfaceArea | 139.8 |
| Druglikeness | 5.0954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
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