(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C25H21N3O4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C25H21N3O4ClFS |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2Cc(c(F)ccc3)c3Cl)=O)\SC2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C25H21ClFN3O4S/c26-19-5-3-6-20(27)18(19)14-30-24(32)22(35-25(30)33)12-16-13-29(21-7-2-1-4-17(16)21)15-23(31)28-8-10-34-11-9-28/h1-7,12-13H,8-11,14-15H2 |
| InChIK | JHARIUYHCJECNU-UHFFFAOYSA-N |
| TotalMolweight | 513.976 |
| Molweight | 513.976 |
| MonoisotopicMass | 513.092532 |
| CLogP | 3.2083 |
| CLogS | -4.525 |
| H Acceptors | 7 |
| TotalSurfaceArea | 360.2 |
| Relative PSA | 0.22371 |
| PolarSurfaceArea | 97.15 |
| Druglikeness | 3.2096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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