(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C25H19N3O2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C25H19N3O2S |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2N(C(C2)c3ccccc3)N=C2c2ccccc2)NC1=O |
| InChI | InChI=1S/C25H19N3O2S/c29-24-23(31-25(30)26-24)15-17-11-13-20(14-12-17)28-22(19-9-5-2-6-10-19)16-21(27-28)18-7-3-1-4-8-18/h1-15,22H,16H2,(H,26,29,30)/t22-/m0/s1 |
| InChIK | OVCFJSGVIJGXKL-QFIPXVFZSA-N |
| TotalMolweight | 425.511 |
| Molweight | 425.511 |
| MonoisotopicMass | 425.119797 |
| CLogP | 4.9518 |
| CLogS | -6.082 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.47 |
| Relative PSA | 0.22288 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 5.3643 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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