(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C29H25N3O3S3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C29H25N3O3S3 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2N(C(C2)c3ccccc3)N=C2c2ccccc2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C29H25N3O3S3/c33-28-27(37-29(36)31(28)24-15-16-38(34,35)19-24)17-20-11-13-23(14-12-20)32-26(22-9-5-2-6-10-22)18-25(30-32)21-7-3-1-4-8-21/h1-14,17,24,26H,15-16,18-19H2 |
| InChIK | PXZIYAPESSFIQZ-UHFFFAOYSA-N |
| TotalMolweight | 559.734 |
| Molweight | 559.734 |
| MonoisotopicMass | 559.105802 |
| CLogP | 4.2232 |
| CLogS | -6.615 |
| H Acceptors | 6 |
| TotalSurfaceArea | 397.13 |
| Relative PSA | 0.26621 |
| PolarSurfaceArea | 135.82 |
| Druglikeness | 1.7721 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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